N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide

C19H28N2O3 — CID 111471383

IUPACN-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
SMILESCc1cc(C(=O)NCC2CCCC2O)ccc1NC(=O)CC(C)C
InChIInChI=1S/C19H28N2O3/c1-12(2)9-18(23)21-16-8-7-14(10-13(16)3)19(24)20-11-15-5-4-6-17(15)22/h7-8,10,12,15,17,22H,4-6,9,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyKCAGEFVKTJICNR-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.87
Rot. Bonds6

About N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide

N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide (PubChem CID 111471383) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
PubChem CID111471383
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
SMILESCc1cc(C(=O)NCC2CCCC2O)ccc1NC(=O)CC(C)C
InChIInChI=1S/C19H28N2O3/c1-12(2)9-18(23)21-16-8-7-14(10-13(16)3)19(24)20-11-15-5-4-6-17(15)22/h7-8,10,12,15,17,22H,4-6,9,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyKCAGEFVKTJICNR-UHFFFAOYSA-N
XLogP2.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 119621175
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119621174
3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide
CID 119503824
N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119630091
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 126813290
N-(3-aminopropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119408504
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide
CID 75422339
(2R)-2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]propanoic acid
CID 119244295
4-[2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]ethyl]benzoic acid
CID 119168800
6-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]hexanoic acid
CID 119220067
N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714185

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide (CID 111471383) is N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide is Cc1cc(C(=O)NCC2CCCC2O)ccc1NC(=O)CC(C)C.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide?
The InChIKey is KCAGEFVKTJICNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12(2)9-18(23)21-16-8-7-14(10-13(16)3)19(24)20-11-15-5-4-6-17(15)22/h7-8,10,12,15,17,22H,4-6,9,11H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide?
N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide has a molecular weight of 332.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 111471383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).