N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide

C15H31N3O — CID 65074258

IUPACN-propyl-2-[(1-propylazepan-4-yl)amino]propanamide
SMILESCCCNC(=O)C(C)NC1CCCN(CCC)CC1
InChIInChI=1S/C15H31N3O/c1-4-9-16-15(19)13(3)17-14-7-6-11-18(10-5-2)12-8-14/h13-14,17H,4-12H2,1-3H3,(H,16,19)
InChIKeyNGKMDDFDPZTFJQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.76
Rot. Bonds7

About N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide

N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide (PubChem CID 65074258) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-propyl-2-[(1-propylazepan-4-yl)amino]propanamide
PubChem CID65074258
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-propyl-2-[(1-propylazepan-4-yl)amino]propanamide
SMILESCCCNC(=O)C(C)NC1CCCN(CCC)CC1
InChIInChI=1S/C15H31N3O/c1-4-9-16-15(19)13(3)17-14-7-6-11-18(10-5-2)12-8-14/h13-14,17H,4-12H2,1-3H3,(H,16,19)
InChIKeyNGKMDDFDPZTFJQ-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43400111
N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide
CID 65074151
N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 60722361
3-methyl-2-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073293
2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43401252
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one
CID 60677287
N-ethyl-2-[(1-ethylpiperidin-4-yl)amino]propanamide
CID 43400100
N-methyl-1-propylazepan-4-amine
CID 65072873
methyl (2S)-2-[(1-ethylazepan-4-yl)amino]propanoate
CID 65074522
N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide
CID 43373502
1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine
CID 54953008
4-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073653

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide?
The IUPAC name of N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide (CID 65074258) is N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide.
What is the SMILES notation for N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide?
The canonical SMILES for N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide is CCCNC(=O)C(C)NC1CCCN(CCC)CC1.
What is the InChIKey of N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide?
The InChIKey is NGKMDDFDPZTFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-9-16-15(19)13(3)17-14-7-6-11-18(10-5-2)12-8-14/h13-14,17H,4-12H2,1-3H3,(H,16,19).
What are the key properties of N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide?
N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide is sourced from PubChem (CID 65074258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).