3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide

C17H27N3O2 — CID 119585729

IUPAC3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NC(CN)CC(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-4-8-19-16(21)13-6-5-7-14(10-13)17(22)20-15(11-18)9-12(2)3/h5-7,10,12,15H,4,8-9,11,18H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyOJCMUSPFHRMYAZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.93
Rot. Bonds8

About 3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide

3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide (PubChem CID 119585729) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide
PubChem CID119585729
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NC(CN)CC(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-4-8-19-16(21)13-6-5-7-14(10-13)17(22)20-15(11-18)9-12(2)3/h5-7,10,12,15H,4,8-9,11,18H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyOJCMUSPFHRMYAZ-UHFFFAOYSA-N
XLogP1.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
CID 119220692
3-methyl-2-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
CID 119169850
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
CID 119588043
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-N-(1-aminobutan-2-yl)benzene-1,3-dicarboxamide
CID 65193984
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide (CID 119585729) is 3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide is CCCNC(=O)c1cccc(C(=O)NC(CN)CC(C)C)c1.
What is the InChIKey of 3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide?
The InChIKey is OJCMUSPFHRMYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-8-19-16(21)13-6-5-7-14(10-13)17(22)20-15(11-18)9-12(2)3/h5-7,10,12,15H,4,8-9,11,18H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide?
3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 119585729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).