(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide

C19H24N4O — CID 120607749

IUPAC(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C19H24N4O/c1-3-10-23(11-4-2)19(24)18(20)12-17-14-22(15-21-17)13-16-8-6-5-7-9-16/h3-9,14-15,18H,1-2,10-13,20H2/t18-/m0/s1
InChIKeyXYLVLDXKRHIGFB-SFHVURJKSA-N
MW324.43 g/mol
LogP2.00
Rot. Bonds9

About (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide (PubChem CID 120607749) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide
PubChem CID120607749
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C19H24N4O/c1-3-10-23(11-4-2)19(24)18(20)12-17-14-22(15-21-17)13-16-8-6-5-7-9-16/h3-9,14-15,18H,1-2,10-13,20H2/t18-/m0/s1
InChIKeyXYLVLDXKRHIGFB-SFHVURJKSA-N
XLogP2.00
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 110993
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CID 54589400
6-((2-(1H-Imidazol-5-yl)ethyl)amino)-N-(4-(trifluoromethyl)phenyl)heptanamide
CID 124846
N-[3-(1H-imidazol-1-yl)propyl]-N'-phenylethanediamide
CID 3107634
Nalpha-Cinnamoylhistamine
CID 5475190
L-Histidine beta-naphthylamide
CID 688489
(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
CID 10238900
2-[[2-[[(2s)-3-(3h-Imidazol-4-Yl)-1-Methoxy-1-Oxo-Propan-2-Yl]amino]-2-Oxo-Ethyl]-(Phenylmethyl)amino]ethanoic Acid
CID 53378106
Ac-Leu-Leu-Leu-His-Arg-Val-Lys-NHBn(4-amidino)
CID 137647032
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylacetamide
CID 8030296
N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide
CID 2861400
7-Methyl-2-phenylimidazo[1,2-a]pyrimidin-5-ol
CID 2763440

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide (CID 120607749) is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1.
What is the InChIKey of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is XYLVLDXKRHIGFB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-10-23(11-4-2)19(24)18(20)12-17-14-22(15-21-17)13-16-8-6-5-7-9-16/h3-9,14-15,18H,1-2,10-13,20H2/t18-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide?
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 324.43 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 120607749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).