N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide

C16H24N2O3 — CID 61038662

IUPACN-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide
SMILESCC(C)N(CCCO)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-13(2)18(11-6-12-19)15(20)9-10-17-16(21)14-7-4-3-5-8-14/h3-5,7-8,13,19H,6,9-12H2,1-2H3,(H,17,21)
InChIKeyCTHPZBSMPAJOOP-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.43
Rot. Bonds8

About N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide

N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide (PubChem CID 61038662) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide
PubChem CID61038662
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide
SMILESCC(C)N(CCCO)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-13(2)18(11-6-12-19)15(20)9-10-17-16(21)14-7-4-3-5-8-14/h3-5,7-8,13,19H,6,9-12H2,1-2H3,(H,17,21)
InChIKeyCTHPZBSMPAJOOP-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(propan-2-yl)amino]ethyl]benzamide
CID 113051974
4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide
CID 63324041
N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
CID 107482734
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 62366412
2-[4-benzamidobutanoyl(butan-2-yl)amino]acetic acid
CID 119955163
3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 54916197
N-(4-hydroxy-3-methylbutyl)benzamide
CID 130383332
N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide
CID 54175456
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330
methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate
CID 60977381
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide (CID 61038662) is N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide is CC(C)N(CCCO)C(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is CTHPZBSMPAJOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(2)18(11-6-12-19)15(20)9-10-17-16(21)14-7-4-3-5-8-14/h3-5,7-8,13,19H,6,9-12H2,1-2H3,(H,17,21).
What are the key properties of N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide?
N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 61038662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).