[(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid

C23H24N2O4 — CID 68818606

IUPAC[(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid
SMILESO=C(O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2oc3c(c2c1)CCCCC3
InChIInChI=1S/C23H24N2O4/c26-22(19(25-23(27)28)13-15-7-3-1-4-8-15)24-16-11-12-21-18(14-16)17-9-5-2-6-10-20(17)29-21/h1,3-4,7-8,11-12,14,19,25H,2,5-6,9-10,13H2,(H,24,26)(H,27,28)/t19-/m0/s1
InChIKeyPFMAORMWQFTAFB-IBGZPJMESA-N
MW392.46 g/mol
LogP4.52
Rot. Bonds5

About [(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid

[(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid (PubChem CID 68818606) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid
PubChem CID68818606
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid
SMILESO=C(O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2oc3c(c2c1)CCCCC3
InChIInChI=1S/C23H24N2O4/c26-22(19(25-23(27)28)13-15-7-3-1-4-8-15)24-16-11-12-21-18(14-16)17-9-5-2-6-10-20(17)29-21/h1,3-4,7-8,11-12,14,19,25H,2,5-6,9-10,13H2,(H,24,26)(H,27,28)/t19-/m0/s1
InChIKeyPFMAORMWQFTAFB-IBGZPJMESA-N
XLogP4.52
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)morpholine-4-carboxamide
CID 24898077
[(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 142702656
N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41037360
4-methoxy-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 24899449
2-(carbamoylamino)-3-phenyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 24636880
N-[(2S)-1-oxo-3-phenyl-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]propan-2-yl]benzamide
CID 41071988
N-[1-oxo-3-phenyl-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]propan-2-yl]benzamide
CID 4847387
N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
benzyl [4-[(2R)-3-(dibenzofuran-3-ylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenyl] carbonate
CID 126010649
(2R)-2-acetamido-N-(4-acetylphenyl)-3-phenylpropanamide
CID 59916110
(2S)-2-[(3,4-dimethylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 943707
3-[(2-benzamido-3-phenylpropanoyl)amino]-N-hydroxybenzamide
CID 178016044

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid (CID 68818606) is [(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid is O=C(O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2oc3c(c2c1)CCCCC3.
What is the InChIKey of [(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid?
The InChIKey is PFMAORMWQFTAFB-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N2O4/c26-22(19(25-23(27)28)13-15-7-3-1-4-8-15)24-16-11-12-21-18(14-16)17-9-5-2-6-10-20(17)29-21/h1,3-4,7-8,11-12,14,19,25H,2,5-6,9-10,13H2,(H,24,26)(H,27,28)/t19-/m0/s1.
What are the key properties of [(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid?
[(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid has a molecular weight of 392.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid is sourced from PubChem (CID 68818606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).