(E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide

C25H23N3O — CID 155683411

IUPAC(E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NC(Cc1ccccc1)Cn1ccnc1
InChIInChI=1S/C25H23N3O/c29-25(14-13-22-11-6-10-21-9-4-5-12-24(21)22)27-23(18-28-16-15-26-19-28)17-20-7-2-1-3-8-20/h1-16,19,23H,17-18H2,(H,27,29)/b14-13+
InChIKeyHMBWVOLSVHBLQQ-BUHFOSPRSA-N
MW381.48 g/mol
LogP4.48
Rot. Bonds7

About (E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide

(E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 155683411) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is (E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID155683411
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name(E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NC(Cc1ccccc1)Cn1ccnc1
InChIInChI=1S/C25H23N3O/c29-25(14-13-22-11-6-10-21-9-4-5-12-24(21)22)27-23(18-28-16-15-26-19-28)17-20-7-2-1-3-8-20/h1-16,19,23H,17-18H2,(H,27,29)/b14-13+
InChIKeyHMBWVOLSVHBLQQ-BUHFOSPRSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
CID 34906993
(E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
CID 24688119
3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 154631901
3-(4-chlorophenyl)-N-[1,3-di(imidazol-1-yl)propan-2-yl]prop-2-enamide
CID 155663270
2-benzyl-3-imidazol-1-ylpropanoic acid
CID 15018131
3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
CID 67720610
N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69012171
methyl 2-benzyl-3-imidazol-1-ylpropanoate
CID 15018129
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide
CID 102673648
(E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide
CID 38112276
N-benzyl-4-[2-[(Z)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-4-oxobutanamide
CID 92962067
(E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide
CID 90264827

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide (CID 155683411) is (E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide is O=C(/C=C/c1cccc2ccccc12)NC(Cc1ccccc1)Cn1ccnc1.
What is the InChIKey of (E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is HMBWVOLSVHBLQQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H23N3O/c29-25(14-13-22-11-6-10-21-9-4-5-12-24(21)22)27-23(18-28-16-15-26-19-28)17-20-7-2-1-3-8-20/h1-16,19,23H,17-18H2,(H,27,29)/b14-13+.
What are the key properties of (E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide?
(E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 381.48 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 155683411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).