N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide

C15H23N3O2 — CID 108884864

IUPACN-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-11(19)18(10-9-16)14(20)17-13-7-5-12(6-8-13)15(2,3)4/h5-8H,9-10,16H2,1-4H3,(H,17,20)
InChIKeyKOADSYNEENAGIB-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.32
Rot. Bonds3

About N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide

N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide (PubChem CID 108884864) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
PubChem CID108884864
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-11(19)18(10-9-16)14(20)17-13-7-5-12(6-8-13)15(2,3)4/h5-8H,9-10,16H2,1-4H3,(H,17,20)
InChIKeyKOADSYNEENAGIB-UHFFFAOYSA-N
XLogP2.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide
CID 108869300
N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895560
N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
CID 108873405
ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate
CID 108866518
N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884825
N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide
CID 108887446
methyl 4-[[2-[acetyl(2-aminoethyl)amino]-2-oxoacetyl]amino]benzoate
CID 108528160
3-(4-tert-butylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578802
3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide
CID 113115426
N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
CID 108871331
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide (CID 108884864) is N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide is CC(=O)N(CCN)C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide?
The InChIKey is KOADSYNEENAGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(19)18(10-9-16)14(20)17-13-7-5-12(6-8-13)15(2,3)4/h5-8H,9-10,16H2,1-4H3,(H,17,20).
What are the key properties of N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide?
N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 108884864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).