2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide

C12H17ClN4O2 — CID 62921858

IUPAC2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESNCC(c1ccc(Cl)cc1)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H17ClN4O2/c13-9-3-1-8(2-4-9)10(5-14)17(6-11(15)18)7-12(16)19/h1-4,10H,5-7,14H2,(H2,15,18)(H2,16,19)
InChIKeyDSYUTJRCROFVTD-UHFFFAOYSA-N
MW284.75 g/mol
LogP-0.39
Rot. Bonds7

About 2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide

2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 62921858) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID62921858
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESNCC(c1ccc(Cl)cc1)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H17ClN4O2/c13-9-3-1-8(2-4-9)10(5-14)17(6-11(15)18)7-12(16)19/h1-4,10H,5-7,14H2,(H2,15,18)(H2,16,19)
InChIKeyDSYUTJRCROFVTD-UHFFFAOYSA-N
XLogP-0.39
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide
CID 55017214
2-[carboxymethyl-[1-(4-chlorophenyl)propyl]amino]acetic acid
CID 65065919
1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82959955
(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060
3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914743
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
1-(3-chloro-4-fluorophenyl)-N,N-diethylethane-1,2-diamine
CID 81145758
2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 55155295
2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018046
2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 81145990

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide (CID 62921858) is 2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide is NCC(c1ccc(Cl)cc1)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is DSYUTJRCROFVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c13-9-3-1-8(2-4-9)10(5-14)17(6-11(15)18)7-12(16)19/h1-4,10H,5-7,14H2,(H2,15,18)(H2,16,19).
What are the key properties of 2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide?
2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 284.75 g/mol, XLogP of -0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 62921858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).