N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide

C20H26N4O3 — CID 60544041

IUPACN-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCc1ccco1)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C20H26N4O3/c25-19(15-22-20(26)21-14-16-8-7-13-27-16)23-17-9-3-4-10-18(17)24-11-5-1-2-6-12-24/h3-4,7-10,13H,1-2,5-6,11-12,14-15H2,(H,23,25)(H2,21,22,26)
InChIKeyXIDFTLUMVOZGEZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.10
Rot. Bonds6

About N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide

N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide (PubChem CID 60544041) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
PubChem CID60544041
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCc1ccco1)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C20H26N4O3/c25-19(15-22-20(26)21-14-16-8-7-13-27-16)23-17-9-3-4-10-18(17)24-11-5-1-2-6-12-24/h3-4,7-10,13H,1-2,5-6,11-12,14-15H2,(H,23,25)(H2,21,22,26)
InChIKeyXIDFTLUMVOZGEZ-UHFFFAOYSA-N
XLogP3.10
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea
CID 52541821
1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea
CID 60590963
N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide
CID 46798897
2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 60542397
N-(2-piperidin-1-ylphenyl)propanamide
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2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 46526099
2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
CID 6602692
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
N-(2-morpholin-4-ylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000312
5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide
CID 30495584
2-(azetidin-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 64611833

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide (CID 60544041) is N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide is O=C(CNC(=O)NCc1ccco1)Nc1ccccc1N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The InChIKey is XIDFTLUMVOZGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-19(15-22-20(26)21-14-16-8-7-13-27-16)23-17-9-3-4-10-18(17)24-11-5-1-2-6-12-24/h3-4,7-10,13H,1-2,5-6,11-12,14-15H2,(H,23,25)(H2,21,22,26).
What are the key properties of N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide is sourced from PubChem (CID 60544041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).