N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide

C15H22N2O3 — CID 131924744

IUPACN-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide
SMILESCN(Cc1ccoc1)C(=O)CCN1CCCCCC1=O
InChIInChI=1S/C15H22N2O3/c1-16(11-13-7-10-20-12-13)14(18)6-9-17-8-4-2-3-5-15(17)19/h7,10,12H,2-6,8-9,11H2,1H3
InChIKeyANRDQSFXAPCYOF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.03
Rot. Bonds5

About N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide

N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 131924744) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide
PubChem CID131924744
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide
SMILESCN(Cc1ccoc1)C(=O)CCN1CCCCCC1=O
InChIInChI=1S/C15H22N2O3/c1-16(11-13-7-10-20-12-13)14(18)6-9-17-8-4-2-3-5-15(17)19/h7,10,12H,2-6,8-9,11H2,1H3
InChIKeyANRDQSFXAPCYOF-UHFFFAOYSA-N
XLogP2.03
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide
CID 131922700
N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91778052
3-(ethylamino)-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 62834996
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 118773707
5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide
CID 61422456
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
CID 39514014
N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide;fluoroform
CID 170576059
2-ethoxy-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61216289
ethyl 3-(2-oxoazepan-1-yl)propanoate
CID 14922094
N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131944371

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide (CID 131924744) is N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide is CN(Cc1ccoc1)C(=O)CCN1CCCCCC1=O.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is ANRDQSFXAPCYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16(11-13-7-10-20-12-13)14(18)6-9-17-8-4-2-3-5-15(17)19/h7,10,12H,2-6,8-9,11H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide?
N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 278.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 131924744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).