N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide

C14H21N3O2 — CID 54980107

IUPACN-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(N)=O)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H21N3O2/c1-10(2)17(9-13(16)18)14(19)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,10H,5,8-9,15H2,1-2H3,(H2,16,18)
InChIKeyHZWNMFGCKWPHLL-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.92
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide

N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide (PubChem CID 54980107) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide
PubChem CID54980107
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(N)=O)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H21N3O2/c1-10(2)17(9-13(16)18)14(19)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,10H,5,8-9,15H2,1-2H3,(H2,16,18)
InChIKeyHZWNMFGCKWPHLL-UHFFFAOYSA-N
XLogP0.92
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
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

4-[3-(4-aminophenyl)propanoyl-propan-2-ylamino]butanoic acid
CID 115341317
2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid
CID 119198001
N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093681
methyl 2-[3-(3-aminophenyl)propanoyl-propan-2-ylamino]acetate
CID 80701573
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093679
N-(2-amino-2-oxoethyl)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 43397899
3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide
CID 43309224
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55258212
N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384017
3-(4-aminophenyl)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61114933
N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide
CID 43578807
4-[3-[ethyl(propan-2-yl)amino]-3-oxopropyl]benzenesulfonyl chloride
CID 65371650

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide (CID 54980107) is N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide is CC(C)N(CC(N)=O)C(=O)CCc1ccc(N)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide?
The InChIKey is HZWNMFGCKWPHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)17(9-13(16)18)14(19)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,10H,5,8-9,15H2,1-2H3,(H2,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide?
N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 54980107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).