2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide

C19H24N4O2 — CID 18164481

IUPAC2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
SMILESCN(C)c1ccc(CNC(=O)C(Cc2ccccc2)NC(N)=O)cc1
InChIInChI=1S/C19H24N4O2/c1-23(2)16-10-8-15(9-11-16)13-21-18(24)17(22-19(20)25)12-14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,21,24)(H3,20,22,25)
InChIKeyVOSPXEVIJRXMCD-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.65
Rot. Bonds7

About 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide

2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide (PubChem CID 18164481) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
PubChem CID18164481
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
SMILESCN(C)c1ccc(CNC(=O)C(Cc2ccccc2)NC(N)=O)cc1
InChIInChI=1S/C19H24N4O2/c1-23(2)16-10-8-15(9-11-16)13-21-18(24)17(22-19(20)25)12-14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,21,24)(H3,20,22,25)
InChIKeyVOSPXEVIJRXMCD-UHFFFAOYSA-N
XLogP1.65
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 18164591
2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 15521687
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 18164478
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8575420
N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879983
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4805903
(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide
CID 101192058
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-phenylmethoxypropanamide
CID 39943771
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide
CID 60571690
(2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide
CID 7874184
[(2R)-1-[2-[(4-methoxyphenyl)methylcarbamothioyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 35903882

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide (CID 18164481) is 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide is CN(C)c1ccc(CNC(=O)C(Cc2ccccc2)NC(N)=O)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide?
The InChIKey is VOSPXEVIJRXMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-23(2)16-10-8-15(9-11-16)13-21-18(24)17(22-19(20)25)12-14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,21,24)(H3,20,22,25).
What are the key properties of 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide?
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide has a molecular weight of 340.43 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 18164481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).