N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide

C14H28N2O2 — CID 79152464

IUPACN-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide
SMILESCCC(CC)N(CCO)C(=O)N1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-3-13(4-2)16(11-12-17)14(18)15-9-7-5-6-8-10-15/h13,17H,3-12H2,1-2H3
InChIKeyYMYOPPGKLHMQDC-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.47
Rot. Bonds5

About N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide

N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide (PubChem CID 79152464) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide
PubChem CID79152464
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide
SMILESCCC(CC)N(CCO)C(=O)N1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-3-13(4-2)16(11-12-17)14(18)15-9-7-5-6-8-10-15/h13,17H,3-12H2,1-2H3
InChIKeyYMYOPPGKLHMQDC-UHFFFAOYSA-N
XLogP2.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79151862
1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55150270
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719575
2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 62016645
(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118499
2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063998
N-(2-aminoethyl)-4-methyl-N-pentan-3-ylpiperidine-1-carboxamide
CID 79162308
N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide
CID 115897719
(3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120208
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
2-[2-hydroxyethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60683953

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide (CID 79152464) is N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide is CCC(CC)N(CCO)C(=O)N1CCCCCC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide?
The InChIKey is YMYOPPGKLHMQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-13(4-2)16(11-12-17)14(18)15-9-7-5-6-8-10-15/h13,17H,3-12H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide?
N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide is sourced from PubChem (CID 79152464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).