N-benzyl-N-propylazepane-2-carboxamide

C17H26N2O — CID 64564177

IUPACN-benzyl-N-propylazepane-2-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1CCCCCN1
InChIInChI=1S/C17H26N2O/c1-2-13-19(14-15-9-5-3-6-10-15)17(20)16-11-7-4-8-12-18-16/h3,5-6,9-10,16,18H,2,4,7-8,11-14H2,1H3
InChIKeyRFMWZFLHCNWJGD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.96
Rot. Bonds5

About N-benzyl-N-propylazepane-2-carboxamide

N-benzyl-N-propylazepane-2-carboxamide (PubChem CID 64564177) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-benzyl-N-propylazepane-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propylazepane-2-carboxamide
PubChem CID64564177
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-benzyl-N-propylazepane-2-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1CCCCCN1
InChIInChI=1S/C17H26N2O/c1-2-13-19(14-15-9-5-3-6-10-15)17(20)16-11-7-4-8-12-18-16/h3,5-6,9-10,16,18H,2,4,7-8,11-14H2,1H3
InChIKeyRFMWZFLHCNWJGD-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
CID 104913263
(2R)-N-ethyl-N-propylpiperidine-2-carboxamide
CID 93272549
N-benzyl-N-cyclopropylpiperidine-2-carboxamide
CID 43579225
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide
CID 104913230
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide
CID 64564571
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93375227
N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide
CID 64563638
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propylazepane-2-carboxamide?
The IUPAC name of N-benzyl-N-propylazepane-2-carboxamide (CID 64564177) is N-benzyl-N-propylazepane-2-carboxamide.
What is the SMILES notation for N-benzyl-N-propylazepane-2-carboxamide?
The canonical SMILES for N-benzyl-N-propylazepane-2-carboxamide is CCCN(Cc1ccccc1)C(=O)C1CCCCCN1.
What is the InChIKey of N-benzyl-N-propylazepane-2-carboxamide?
The InChIKey is RFMWZFLHCNWJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-13-19(14-15-9-5-3-6-10-15)17(20)16-11-7-4-8-12-18-16/h3,5-6,9-10,16,18H,2,4,7-8,11-14H2,1H3.
What are the key properties of N-benzyl-N-propylazepane-2-carboxamide?
N-benzyl-N-propylazepane-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propylazepane-2-carboxamide is sourced from PubChem (CID 64564177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).