(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide

C22H27N3O3 — CID 51945893

IUPAC(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-14-25(16-17-7-4-3-5-8-17)22(27)24-19-12-10-18(11-13-19)23-21(26)20-9-6-15-28-20/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3,(H,23,26)(H,24,27)/t20-/m0/s1
InChIKeyQJUZQWAQSHDNHU-FQEVSTJZSA-N
MW381.48 g/mol
LogP4.25
Rot. Bonds7

About (2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide

(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 51945893) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide
PubChem CID51945893
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-14-25(16-17-7-4-3-5-8-17)22(27)24-19-12-10-18(11-13-19)23-21(26)20-9-6-15-28-20/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3,(H,23,26)(H,24,27)/t20-/m0/s1
InChIKeyQJUZQWAQSHDNHU-FQEVSTJZSA-N
XLogP4.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide
CID 112982284
1-benzyl-3-phenyl-1-propylurea
CID 78786424
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 94671367
(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide
CID 95785400
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 55651793
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea
CID 134584176
(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide
CID 94118926

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide (CID 51945893) is (2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide is CCCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1.
What is the InChIKey of (2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is QJUZQWAQSHDNHU-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-14-25(16-17-7-4-3-5-8-17)22(27)24-19-12-10-18(11-13-19)23-21(26)20-9-6-15-28-20/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3,(H,23,26)(H,24,27)/t20-/m0/s1.
What are the key properties of (2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide?
(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 51945893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).