N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide

C15H21N3O3 — CID 66256350

IUPACN-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C15H21N3O3/c1-2-6-17-13-9-21-8-12(13)15(20)18-11-5-3-4-10(7-11)14(16)19/h3-5,7,12-13,17H,2,6,8-9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyLYEAITHCACGDKI-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.74
Rot. Bonds6

About N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide

N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66256350) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66256350
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C15H21N3O3/c1-2-6-17-13-9-21-8-12(13)15(20)18-11-5-3-4-10(7-11)14(16)19/h3-5,7,12-13,17H,2,6,8-9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyLYEAITHCACGDKI-UHFFFAOYSA-N
XLogP0.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255163
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256902
N-(2,4-dimethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254391
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide
CID 66256735
N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254786
N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide
CID 107594898
(3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587830
N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254611
N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 82683106
N-(2,6-dichloro-3-methylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66257067
2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587837

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide (CID 66256350) is N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is LYEAITHCACGDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-6-17-13-9-21-8-12(13)15(20)18-11-5-3-4-10(7-11)14(16)19/h3-5,7,12-13,17H,2,6,8-9H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide?
N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66256350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).