N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide

C13H27N3O — CID 65074642

IUPACN-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide
SMILESCCNC(=O)CNC1CCCN(C(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-4-14-13(17)10-15-12-6-5-8-16(9-7-12)11(2)3/h11-12,15H,4-10H2,1-3H3,(H,14,17)
InChIKeySXMHGSHMFZKZFE-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.98
Rot. Bonds5

About N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide

N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide (PubChem CID 65074642) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide
PubChem CID65074642
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide
SMILESCCNC(=O)CNC1CCCN(C(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-4-14-13(17)10-15-12-6-5-8-16(9-7-12)11(2)3/h11-12,15H,4-10H2,1-3H3,(H,14,17)
InChIKeySXMHGSHMFZKZFE-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclododecylamino)-N-ethylacetamide
CID 43399943
2-(cyclooctylamino)-N-ethylacetamide
CID 28575760
2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
CID 65072399
2-(cyclopentylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 61209304
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate
CID 83210079
2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
CID 65103038
N-octyl-1-propan-2-ylazepan-4-amine
CID 115566933
N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide
CID 112698333
4-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 107151725
N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine
CID 115574695

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide?
The IUPAC name of N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide (CID 65074642) is N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide.
What is the SMILES notation for N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide?
The canonical SMILES for N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide is CCNC(=O)CNC1CCCN(C(C)C)CC1.
What is the InChIKey of N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide?
The InChIKey is SXMHGSHMFZKZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-14-13(17)10-15-12-6-5-8-16(9-7-12)11(2)3/h11-12,15H,4-10H2,1-3H3,(H,14,17).
What are the key properties of N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide?
N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide is sourced from PubChem (CID 65074642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).