N-butyl-4-hydroxy-4-methylazepane-1-carboxamide

C12H24N2O2 — CID 107404101

IUPACN-butyl-4-hydroxy-4-methylazepane-1-carboxamide
SMILESCCCCNC(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C12H24N2O2/c1-3-4-8-13-11(15)14-9-5-6-12(2,16)7-10-14/h16H,3-10H2,1-2H3,(H,13,15)
InChIKeyUZQTXDQNJMGHNW-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.73
Rot. Bonds3

About N-butyl-4-hydroxy-4-methylazepane-1-carboxamide

N-butyl-4-hydroxy-4-methylazepane-1-carboxamide (PubChem CID 107404101) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-butyl-4-hydroxy-4-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-hydroxy-4-methylazepane-1-carboxamide
PubChem CID107404101
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-butyl-4-hydroxy-4-methylazepane-1-carboxamide
SMILESCCCCNC(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C12H24N2O2/c1-3-4-8-13-11(15)14-9-5-6-12(2,16)7-10-14/h16H,3-10H2,1-2H3,(H,13,15)
InChIKeyUZQTXDQNJMGHNW-UHFFFAOYSA-N
XLogP1.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butylaziridine-1-carboxamide
CID 55206947
4-hydroxy-4-methylazepane-1-carbohydrazide
CID 107405919
ethyl 2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetate
CID 107405958
1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one
CID 107406032
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-hydroxy-4-methylazepane-1-carboxamide
CID 122144324
1-(4-hydroxy-4-methylazepan-1-yl)heptan-1-one
CID 107406036
2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid
CID 107405577
(2R)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107567866
N-(3-butoxypropyl)azetidine-1-carboxamide
CID 71943747
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895
N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
CID 144983646

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-hydroxy-4-methylazepane-1-carboxamide?
The IUPAC name of N-butyl-4-hydroxy-4-methylazepane-1-carboxamide (CID 107404101) is N-butyl-4-hydroxy-4-methylazepane-1-carboxamide.
What is the SMILES notation for N-butyl-4-hydroxy-4-methylazepane-1-carboxamide?
The canonical SMILES for N-butyl-4-hydroxy-4-methylazepane-1-carboxamide is CCCCNC(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of N-butyl-4-hydroxy-4-methylazepane-1-carboxamide?
The InChIKey is UZQTXDQNJMGHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-8-13-11(15)14-9-5-6-12(2,16)7-10-14/h16H,3-10H2,1-2H3,(H,13,15).
What are the key properties of N-butyl-4-hydroxy-4-methylazepane-1-carboxamide?
N-butyl-4-hydroxy-4-methylazepane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-hydroxy-4-methylazepane-1-carboxamide is sourced from PubChem (CID 107404101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).