N-benzhydryl-3-(furan-2-yl)prop-2-enamide

C20H17NO2 — CID 880414

IUPACN-benzhydryl-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO2/c22-19(14-13-18-12-7-15-23-18)21-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,20H,(H,21,22)
InChIKeyMOJYVDKKUQGBTN-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.20
Rot. Bonds5

About N-benzhydryl-3-(furan-2-yl)prop-2-enamide

N-benzhydryl-3-(furan-2-yl)prop-2-enamide (PubChem CID 880414) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-benzhydryl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-benzhydryl-3-(furan-2-yl)prop-2-enamide
PubChem CID880414
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC NameN-benzhydryl-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO2/c22-19(14-13-18-12-7-15-23-18)21-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,20H,(H,21,22)
InChIKeyMOJYVDKKUQGBTN-UHFFFAOYSA-N
XLogP4.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
CID 16626046
N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 3931062
(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide
CID 8928142
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 6188146
(E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide
CID 124760047
propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 46637717
2-cyclopropyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetic acid
CID 55108577
(E)-3-(furan-2-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148362
(E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 6057021
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 107564277

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-benzhydryl-3-(furan-2-yl)prop-2-enamide (CID 880414) is N-benzhydryl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-benzhydryl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-benzhydryl-3-(furan-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is MOJYVDKKUQGBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c22-19(14-13-18-12-7-15-23-18)21-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,20H,(H,21,22).
What are the key properties of N-benzhydryl-3-(furan-2-yl)prop-2-enamide?
N-benzhydryl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 303.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 880414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).