N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide

C20H26N4O2 — CID 119548569

IUPACN-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C20H26N4O2/c1-24(15-17-5-3-2-4-6-17)20(26)23-14-12-19(25)22-13-11-16-7-9-18(21)10-8-16/h2-10H,11-15,21H2,1H3,(H,22,25)(H,23,26)
InChIKeyYIYGVUIWYBLKHI-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.16
Rot. Bonds8

About N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide

N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide (PubChem CID 119548569) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
PubChem CID119548569
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C20H26N4O2/c1-24(15-17-5-3-2-4-6-17)20(26)23-14-12-19(25)22-13-11-16-7-9-18(21)10-8-16/h2-10H,11-15,21H2,1H3,(H,22,25)(H,23,26)
InChIKeyYIYGVUIWYBLKHI-UHFFFAOYSA-N
XLogP2.16
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 120568392
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512
1-[(4-aminophenyl)methyl]-3-butyl-1-methylurea
CID 43458216
3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide
CID 60547111
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 16573334
3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
CID 56504949
3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446987
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
5-[[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110662
3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 56553427

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide (CID 119548569) is N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)NCCc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
The InChIKey is YIYGVUIWYBLKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-24(15-17-5-3-2-4-6-17)20(26)23-14-12-19(25)22-13-11-16-7-9-18(21)10-8-16/h2-10H,11-15,21H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide is sourced from PubChem (CID 119548569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).