4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide

C17H26N2O2 — CID 107075660

IUPAC4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1ccc(N)c(O)c1)C1CCCC1
InChIInChI=1S/C17H26N2O2/c1-12(2)9-10-19(14-5-3-4-6-14)17(21)13-7-8-15(18)16(20)11-13/h7-8,11-12,14,20H,3-6,9-10,18H2,1-2H3
InChIKeyYICFENPTBBMYRQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.41
Rot. Bonds5

About 4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide

4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide (PubChem CID 107075660) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide
PubChem CID107075660
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1ccc(N)c(O)c1)C1CCCC1
InChIInChI=1S/C17H26N2O2/c1-12(2)9-10-19(14-5-3-4-6-14)17(21)13-7-8-15(18)16(20)11-13/h7-8,11-12,14,20H,3-6,9-10,18H2,1-2H3
InChIKeyYICFENPTBBMYRQ-UHFFFAOYSA-N
XLogP3.41
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
CID 78974536
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide
CID 104627610
4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide
CID 104782560
5-chloro-N-cyclopentyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 112725848
4-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 78974487
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
N-(2-chloroethyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107728944
N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107727819
N-(2-chloroethyl)-N-cyclohexyl-3,4-dihydroxybenzamide
CID 107728945
N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 78925719
N-cyclopropyl-2,6-dihydroxy-N-(3-methylbutyl)benzamide
CID 107689256

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide (CID 107075660) is 4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide is CC(C)CCN(C(=O)c1ccc(N)c(O)c1)C1CCCC1.
What is the InChIKey of 4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide?
The InChIKey is YICFENPTBBMYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)9-10-19(14-5-3-4-6-14)17(21)13-7-8-15(18)16(20)11-13/h7-8,11-12,14,20H,3-6,9-10,18H2,1-2H3.
What are the key properties of 4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide?
4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 107075660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).