N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide

C22H21N3O3 — CID 34277955

IUPACN-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1)c1ccco1
InChIInChI=1S/C22H21N3O3/c26-21(19-7-4-14-28-19)24-17-10-8-16(9-11-17)23-20(15-5-2-1-3-6-15)22(27)25-18-12-13-18/h1-11,14,18,20,23H,12-13H2,(H,24,26)(H,25,27)/t20-/m0/s1
InChIKeyMBOHULIFCMJMMO-FQEVSTJZSA-N
MW375.43 g/mol
LogP3.96
Rot. Bonds7

About N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide

N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 34277955) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide
PubChem CID34277955
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1)c1ccco1
InChIInChI=1S/C22H21N3O3/c26-21(19-7-4-14-28-19)24-17-10-8-16(9-11-17)23-20(15-5-2-1-3-6-15)22(27)25-18-12-13-18/h1-11,14,18,20,23H,12-13H2,(H,24,26)(H,25,27)/t20-/m0/s1
InChIKeyMBOHULIFCMJMMO-FQEVSTJZSA-N
XLogP3.96
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2,2-diphenylacetyl)amino]phenyl]furan-2-carboxamide
CID 2286846
2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
CID 60597929
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide
CID 24624066
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8756132
N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide
CID 51248536
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
N-[4-(2,2-diphenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 9450262
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
CID 25356041
N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 112985405

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide (CID 34277955) is N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide is O=C(Nc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1)c1ccco1.
What is the InChIKey of N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is MBOHULIFCMJMMO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21(19-7-4-14-28-19)24-17-10-8-16(9-11-17)23-20(15-5-2-1-3-6-15)22(27)25-18-12-13-18/h1-11,14,18,20,23H,12-13H2,(H,24,26)(H,25,27)/t20-/m0/s1.
What are the key properties of N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide?
N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 34277955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).