1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C24H38N2O4 — CID 142245448

IUPAC1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)cc(C(=O)NCC(C)C(O)COCC2CC2)c1
InChIInChI=1S/C24H38N2O4/c1-5-9-26(10-6-2)24(29)21-12-17(3)11-20(13-21)23(28)25-14-18(4)22(27)16-30-15-19-7-8-19/h11-13,18-19,22,27H,5-10,14-16H2,1-4H3,(H,25,28)
InChIKeyZWRPDPNFZLQPBO-UHFFFAOYSA-N
MW418.58 g/mol
LogP3.41
Rot. Bonds13

About 1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 142245448) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is 1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID142245448
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC Name1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)cc(C(=O)NCC(C)C(O)COCC2CC2)c1
InChIInChI=1S/C24H38N2O4/c1-5-9-26(10-6-2)24(29)21-12-17(3)11-20(13-21)23(28)25-14-18(4)22(27)16-30-15-19-7-8-19/h11-13,18-19,22,27H,5-10,14-16H2,1-4H3,(H,25,28)
InChIKeyZWRPDPNFZLQPBO-UHFFFAOYSA-N
XLogP3.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-difluoro-5-methylbenzene;1-N-(4-hexoxy-2-hydroxybutyl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142245343
1-N-[2-(5-cyclohexylpiperidin-2-yl)-2-hydroxyethyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 70337112
5-methyl-3-N,3-N-dipropyl-1-N-[(2S,3R)-1,3,4,5-tetrahydroxypentan-2-yl]oxybenzene-1,3-dicarboxamide
CID 87825825
1-N-(4-benzamido-2,3-dihydroxy-6-methoxyhexyl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142205597
1-N-[2-hydroxy-4-(2-phenylethoxy)butyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142245386
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
1-N-[(2S)-2-hydroxy-2-(5-phenylpiperidin-2-yl)ethyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 71028380
1-N-(4-but-3-ynoxy-2-hydroxybutyl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,3-difluoro-5-methylbenzene
CID 142245359
3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide
CID 111662976
N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547
1-N-[2-hydroxy-4-oxo-4-(2-phenylethylamino)butyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142205285
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
CID 55172737

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 142245448) is 1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NCC(C)C(O)COCC2CC2)c1.
What is the InChIKey of 1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is ZWRPDPNFZLQPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O4/c1-5-9-26(10-6-2)24(29)21-12-17(3)11-20(13-21)23(28)25-14-18(4)22(27)16-30-15-19-7-8-19/h11-13,18-19,22,27H,5-10,14-16H2,1-4H3,(H,25,28).
What are the key properties of 1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 418.58 g/mol, XLogP of 3.41, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(cyclopropylmethoxy)-3-hydroxy-2-methylbutyl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 142245448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).