N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide

C18H23N3O3 — CID 8756602

IUPACN-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESCCCCNC(=O)NC(=O)CN[C@H](c1ccccc1)c1ccco1
InChIInChI=1S/C18H23N3O3/c1-2-3-11-19-18(23)21-16(22)13-20-17(15-10-7-12-24-15)14-8-5-4-6-9-14/h4-10,12,17,20H,2-3,11,13H2,1H3,(H2,19,21,22,23)/t17-/m1/s1
InChIKeyYYQZAPYBFIXRDD-QGZVFWFLSA-N
MW329.40 g/mol
LogP2.58
Rot. Bonds8

About N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide

N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide (PubChem CID 8756602) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
PubChem CID8756602
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESCCCCNC(=O)NC(=O)CN[C@H](c1ccccc1)c1ccco1
InChIInChI=1S/C18H23N3O3/c1-2-3-11-19-18(23)21-16(22)13-20-17(15-10-7-12-24-15)14-8-5-4-6-9-14/h4-10,12,17,20H,2-3,11,13H2,1H3,(H2,19,21,22,23)/t17-/m1/s1
InChIKeyYYQZAPYBFIXRDD-QGZVFWFLSA-N
XLogP2.58
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8755412
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
CID 8755288
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8756496
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-phenylpropyl)acetamide
CID 8696124
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 8755034
2-(benzhydrylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7971062
N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
CID 60661858
N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9391859
N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756176
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8756444
N-(2,6-dichlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696128
1-butyl-3-[1-(furan-2-yl)ethyl]urea
CID 47113388

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide (CID 8756602) is N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide is CCCCNC(=O)NC(=O)CN[C@H](c1ccccc1)c1ccco1.
What is the InChIKey of N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide?
The InChIKey is YYQZAPYBFIXRDD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-3-11-19-18(23)21-16(22)13-20-17(15-10-7-12-24-15)14-8-5-4-6-9-14/h4-10,12,17,20H,2-3,11,13H2,1H3,(H2,19,21,22,23)/t17-/m1/s1.
What are the key properties of N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide?
N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide is sourced from PubChem (CID 8756602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).