4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide

C17H27N3O — CID 65075738

IUPAC4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
SMILESCC(C)N1CCCC(NCc2ccccc2)(C(N)=O)CC1
InChIInChI=1S/C17H27N3O/c1-14(2)20-11-6-9-17(10-12-20,16(18)21)19-13-15-7-4-3-5-8-15/h3-5,7-8,14,19H,6,9-13H2,1-2H3,(H2,18,21)
InChIKeyVFVXYBSWRNFAEX-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.89
Rot. Bonds5

About 4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide

4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide (PubChem CID 65075738) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
PubChem CID65075738
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
SMILESCC(C)N1CCCC(NCc2ccccc2)(C(N)=O)CC1
InChIInChI=1S/C17H27N3O/c1-14(2)20-11-6-9-17(10-12-20,16(18)21)19-13-15-7-4-3-5-8-15/h3-5,7-8,14,19H,6,9-13H2,1-2H3,(H2,18,21)
InChIKeyVFVXYBSWRNFAEX-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65075754
4-(benzylamino)-1-methylazepane-4-carboxamide
CID 65075475
[4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol
CID 65077679
4-(2-bromoanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65076342
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
4-(2-fluoroanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65075891
1-(benzylamino)-4-methylcycloheptane-1-carboxamide
CID 65084787
benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate
CID 130516767
4-(4-methylanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65075790
4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65076096
N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
CID 139362651
1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide
CID 60995368

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide?
The IUPAC name of 4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide (CID 65075738) is 4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide.
What is the SMILES notation for 4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide?
The canonical SMILES for 4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide is CC(C)N1CCCC(NCc2ccccc2)(C(N)=O)CC1.
What is the InChIKey of 4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide?
The InChIKey is VFVXYBSWRNFAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)20-11-6-9-17(10-12-20,16(18)21)19-13-15-7-4-3-5-8-15/h3-5,7-8,14,19H,6,9-13H2,1-2H3,(H2,18,21).
What are the key properties of 4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide?
4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide is sourced from PubChem (CID 65075738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).