N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide

C15H22BrN3O2 — CID 62837088

IUPACN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)N(CC(N)=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O2/c1-3-18-11(2)8-15(21)19(10-14(17)20)9-12-4-6-13(16)7-5-12/h4-7,11,18H,3,8-10H2,1-2H3,(H2,17,20)
InChIKeyPYOZQJVBEOFUIL-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.65
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide (PubChem CID 62837088) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide
PubChem CID62837088
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)N(CC(N)=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O2/c1-3-18-11(2)8-15(21)19(10-14(17)20)9-12-4-6-13(16)7-5-12/h4-7,11,18H,3,8-10H2,1-2H3,(H2,17,20)
InChIKeyPYOZQJVBEOFUIL-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60963762
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)propanamide
CID 62835708
N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide
CID 55138018
2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
CID 47374439
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79201773
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide
CID 60963304
3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide
CID 106112171
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 61264658
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide
CID 62838320
N-[(3,4-dimethoxyphenyl)methyl]-3-(ethylamino)-N-methylbutanamide
CID 62837059
(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide
CID 94453902

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide (CID 62837088) is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)N(CC(N)=O)Cc1ccc(Br)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide?
The InChIKey is PYOZQJVBEOFUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-3-18-11(2)8-15(21)19(10-14(17)20)9-12-4-6-13(16)7-5-12/h4-7,11,18H,3,8-10H2,1-2H3,(H2,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide?
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide has a molecular weight of 356.26 g/mol, XLogP of 1.65, 8 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)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide is sourced from PubChem (CID 62837088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).