1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene

C34H52N4O3 — CID 142843712

IUPAC1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NCC(N)CC(C)C(=O)NCC2CCCC2)c1.Cc1ccc(C)cc1
InChIInChI=1S/C26H42N4O3.C8H10/c1-4-13-30(14-5-2)26(33)22-12-8-11-21(16-22)25(32)29-18-23(27)15-19(3)24(31)28-17-20-9-6-7-10-20;1-7-3-5-8(2)6-4-7/h8,11-12,16,19-20,23H,4-7,9-10,13-15,17-18,27H2,1-3H3,(H,28,31)(H,29,32);3-6H,1-2H3
InChIKeyUXBFZHFRZVVPEO-UHFFFAOYSA-N
MW564.82 g/mol
LogP5.64
Rot. Bonds13

About 1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene

1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene (PubChem CID 142843712) has the molecular formula C34H52N4O3 and a molecular weight of 564.82 g/mol. Its IUPAC name is 1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene.

Molecular Properties

Compound Name1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene
PubChem CID142843712
Molecular FormulaC34H52N4O3
Molecular Weight564.82 g/mol
Exact Mass564.40
IUPAC Name1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NCC(N)CC(C)C(=O)NCC2CCCC2)c1.Cc1ccc(C)cc1
InChIInChI=1S/C26H42N4O3.C8H10/c1-4-13-30(14-5-2)26(33)22-12-8-11-21(16-22)25(32)29-18-23(27)15-19(3)24(31)28-17-20-9-6-7-10-20;1-7-3-5-8(2)6-4-7/h8,11-12,16,19-20,23H,4-7,9-10,13-15,17-18,27H2,1-3H3,(H,28,31)(H,29,32);3-6H,1-2H3
InChIKeyUXBFZHFRZVVPEO-UHFFFAOYSA-N
XLogP5.64
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.82
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[2-amino-4-methyl-5-(2-methylpropylamino)-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142843536
1-N-[(2S,3S,5R)-3-amino-6-(cyclopentylmethylamino)-1-(2,3-difluorophenyl)-5-methyl-6-oxohexan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 58738224
1-N-[(2S,3S,5R)-3-amino-6-(cyclohexylmethylamino)-1-(3-fluorophenyl)-5-methyl-6-oxohexan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 58738165
1-N-[(2S,3S,5R)-3-amino-6-(cyclopentylmethylamino)-1-(furan-3-yl)-5-methyl-6-oxohexan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 58737701
1-N-[(2S,3S,5R)-3-amino-6-(cyclopropylmethylamino)-1-(furan-3-yl)-5-methyl-6-oxohexan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 58738071
1-N-[(2S,3S,5R)-3-amino-6-(cyclopropylmethylamino)-5-methyl-6-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 58737913
1-N-[(2S,3S,5R)-3-amino-5-methyl-6-(4-methylanilino)-6-oxohexan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 58714945
1-N-[(3S,4S,6R)-4-amino-1-cyclopropyl-6-methyl-7-[[(2S)-2-methylbutyl]amino]-7-oxoheptan-3-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 58737855
4-[[[(2R,4S)-6-(3,5-difluorophenyl)-5-[[3-(dipropylcarbamoyl)benzoyl]amino]-4-hydroxy-2-methylhexanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 58619804
4-[[[6-(3,5-difluorophenyl)-5-[[3-(dipropylcarbamoyl)benzoyl]amino]-4-hydroxy-2-methylhexanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 10122238
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056099
1-N-[(2R,4S)-4-methyl-5-(4-methylanilino)-5-oxo-1-phenylpentan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 173156714

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene?
The IUPAC name of 1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene (CID 142843712) is 1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene.
What is the SMILES notation for 1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene?
The canonical SMILES for 1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene is CCCN(CCC)C(=O)c1cccc(C(=O)NCC(N)CC(C)C(=O)NCC2CCCC2)c1.Cc1ccc(C)cc1.
What is the InChIKey of 1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene?
The InChIKey is UXBFZHFRZVVPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O3.C8H10/c1-4-13-30(14-5-2)26(33)22-12-8-11-21(16-22)25(32)29-18-23(27)15-19(3)24(31)28-17-20-9-6-7-10-20;1-7-3-5-8(2)6-4-7/h8,11-12,16,19-20,23H,4-7,9-10,13-15,17-18,27H2,1-3H3,(H,28,31)(H,29,32);3-6H,1-2H3.
What are the key properties of 1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene?
1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene has a molecular weight of 564.82 g/mol, XLogP of 5.64, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-amino-5-(cyclopentylmethylamino)-4-methyl-5-oxopentyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,4-xylene is sourced from PubChem (CID 142843712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).