N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide

C16H24N2O2 — CID 95722997

IUPACN-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NC[C@@]2(O)CCCNCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-8-13(2)10-14(9-12)15(19)18-11-16(20)4-3-6-17-7-5-16/h8-10,17,20H,3-7,11H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyDVUPPLXEPNZEDA-MRXNPFEDSA-N
MW276.38 g/mol
LogP1.54
Rot. Bonds3

About N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide

N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide (PubChem CID 95722997) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide
PubChem CID95722997
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NC[C@@]2(O)CCCNCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-8-13(2)10-14(9-12)15(19)18-11-16(20)4-3-6-17-7-5-16/h8-10,17,20H,3-7,11H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyDVUPPLXEPNZEDA-MRXNPFEDSA-N
XLogP1.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide
CID 56894854
N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide
CID 111539461
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 77088762
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide
CID 115664965
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide
CID 95718959
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 95719731
1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea
CID 130984635
N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 56885073
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 95708416
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95718758

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide (CID 95722997) is N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NC[C@@]2(O)CCCNCC2)c1.
What is the InChIKey of N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide?
The InChIKey is DVUPPLXEPNZEDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-8-13(2)10-14(9-12)15(19)18-11-16(20)4-3-6-17-7-5-16/h8-10,17,20H,3-7,11H2,1-2H3,(H,18,19)/t16-/m1/s1.
What are the key properties of N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide?
N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 95722997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).