N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide

C15H22N4O3 — CID 51080425

IUPACN-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)Nc1ccccc1CC(N)=O
InChIInChI=1S/C15H22N4O3/c1-10(2)14(21)17-7-8-18-15(22)19-12-6-4-3-5-11(12)9-13(16)20/h3-6,10H,7-9H2,1-2H3,(H2,16,20)(H,17,21)(H2,18,19,22)
InChIKeyUQCLMAQWSJAIGK-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.61
Rot. Bonds7

About N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide

N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide (PubChem CID 51080425) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide
PubChem CID51080425
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)Nc1ccccc1CC(N)=O
InChIInChI=1S/C15H22N4O3/c1-10(2)14(21)17-7-8-18-15(22)19-12-6-4-3-5-11(12)9-13(16)20/h3-6,10H,7-9H2,1-2H3,(H2,16,20)(H,17,21)(H2,18,19,22)
InChIKeyUQCLMAQWSJAIGK-UHFFFAOYSA-N
XLogP0.61
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromobutanamide
CID 62856321
(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide
CID 51942532
2-methyl-N-[2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamoylamino]ethyl]propanamide
CID 47033314
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide
CID 114327737
N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
CID 60576974
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide
CID 62837196
2-[2-(propylamino)phenyl]acetamide
CID 43738591
2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 86988845
2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide
CID 115431675
2-[2-(furan-3-ylmethylcarbamoylamino)phenyl]acetamide
CID 47039420
2-[2-[(4-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 90271537

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide (CID 51080425) is N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(=O)Nc1ccccc1CC(N)=O.
What is the InChIKey of N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide?
The InChIKey is UQCLMAQWSJAIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(2)14(21)17-7-8-18-15(22)19-12-6-4-3-5-11(12)9-13(16)20/h3-6,10H,7-9H2,1-2H3,(H2,16,20)(H,17,21)(H2,18,19,22).
What are the key properties of N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide?
N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide has a molecular weight of 306.37 g/mol, XLogP of 0.61, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 51080425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).