N-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide

C25H25N5O2 — CID 154868633

IUPACN-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide
SMILESCn1nc(NC(=O)NC(Cc2ccccc2)C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C25H25N5O2/c1-30-22-15-9-8-14-20(22)23(29-30)28-25(32)27-21(16-18-10-4-2-5-11-18)24(31)26-17-19-12-6-3-7-13-19/h2-15,21H,16-17H2,1H3,(H,26,31)(H2,27,28,29,32)
InChIKeyFLPKKCQJATUQEI-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.62
Rot. Bonds7

About N-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide

N-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide (PubChem CID 154868633) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide
PubChem CID154868633
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide
SMILESCn1nc(NC(=O)NC(Cc2ccccc2)C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C25H25N5O2/c1-30-22-15-9-8-14-20(22)23(29-30)28-25(32)27-21(16-18-10-4-2-5-11-18)24(31)26-17-19-12-6-3-7-13-19/h2-15,21H,16-17H2,1H3,(H,26,31)(H2,27,28,29,32)
InChIKeyFLPKKCQJATUQEI-UHFFFAOYSA-N
XLogP3.62
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylcarbamoylamino)-N-(cyanomethyl)-3-phenylpropanamide
CID 87927353
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide
CID 101192058
2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide
CID 42696556
(E)-4-[(1-methylindazol-3-yl)amino]-4-oxobut-2-enoic acid
CID 122360690
benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4805903
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide
CID 42706052
CID 173297527
CID 173297527
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902353
(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 2666614
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide?
The IUPAC name of N-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide (CID 154868633) is N-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide.
What is the SMILES notation for N-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide?
The canonical SMILES for N-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide is Cn1nc(NC(=O)NC(Cc2ccccc2)C(=O)NCc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide?
The InChIKey is FLPKKCQJATUQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-30-22-15-9-8-14-20(22)23(29-30)28-25(32)27-21(16-18-10-4-2-5-11-18)24(31)26-17-19-12-6-3-7-13-19/h2-15,21H,16-17H2,1H3,(H,26,31)(H2,27,28,29,32).
What are the key properties of N-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide?
N-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide has a molecular weight of 427.51 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1-methylindazol-3-yl)carbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 154868633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).