N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide

C13H27N3O — CID 65074151

IUPACN-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide
SMILESCCNC(=O)C(C)NC1CCCN(CC)CC1
InChIInChI=1S/C13H27N3O/c1-4-14-13(17)11(3)15-12-7-6-9-16(5-2)10-8-12/h11-12,15H,4-10H2,1-3H3,(H,14,17)
InChIKeyVSVZQXZAKDHAQX-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.98
Rot. Bonds5

About N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide

N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide (PubChem CID 65074151) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide
PubChem CID65074151
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide
SMILESCCNC(=O)C(C)NC1CCCN(CC)CC1
InChIInChI=1S/C13H27N3O/c1-4-14-13(17)11(3)15-12-7-6-9-16(5-2)10-8-12/h11-12,15H,4-10H2,1-3H3,(H,14,17)
InChIKeyVSVZQXZAKDHAQX-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

N-ethyl-2-[(1-ethylpiperidin-4-yl)amino]propanamide
CID 43400100
N-ethyl-2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43400111
methyl (2S)-2-[(1-ethylazepan-4-yl)amino]propanoate
CID 65074522
N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide
CID 65074258
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate
CID 43723592
N,N-diethyl-2-[(1-ethylpiperidin-4-yl)amino]propanamide
CID 43739392
N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine
CID 81384724
2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide
CID 79459315
2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide
CID 43236392
N-(1-ethylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62637523
3-methyl-2-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073293

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide?
The IUPAC name of N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide (CID 65074151) is N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide is CCNC(=O)C(C)NC1CCCN(CC)CC1.
What is the InChIKey of N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide?
The InChIKey is VSVZQXZAKDHAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-14-13(17)11(3)15-12-7-6-9-16(5-2)10-8-12/h11-12,15H,4-10H2,1-3H3,(H,14,17).
What are the key properties of N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide?
N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide 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-ethylazepan-4-yl)amino]propanamide is sourced from PubChem (CID 65074151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).