1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea

C16H23ClN4O3 — CID 99776153

IUPAC1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea
SMILESC[C@@H](N)[C@@H]1CN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C16H23ClN4O3/c1-11(18)14-10-21(6-7-24-14)15(22)9-20-16(23)19-8-12-2-4-13(17)5-3-12/h2-5,11,14H,6-10,18H2,1H3,(H2,19,20,23)/t11-,14+/m1/s1
InChIKeyOTNNJPPBNAABLB-RISCZKNCSA-N
MW354.84 g/mol
LogP0.71
Rot. Bonds5

About 1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea

1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea (PubChem CID 99776153) has the molecular formula C16H23ClN4O3 and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea
PubChem CID99776153
Molecular FormulaC16H23ClN4O3
Molecular Weight354.84 g/mol
Exact Mass354.15
IUPAC Name1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea
SMILESC[C@@H](N)[C@@H]1CN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C16H23ClN4O3/c1-11(18)14-10-21(6-7-24-14)15(22)9-20-16(23)19-8-12-2-4-13(17)5-3-12/h2-5,11,14H,6-10,18H2,1H3,(H2,19,20,23)/t11-,14+/m1/s1
InChIKeyOTNNJPPBNAABLB-RISCZKNCSA-N
XLogP0.71
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354501
1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea
CID 119396282
1-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea
CID 120656650
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(2-chlorophenyl)ethanone
CID 81485233
N-(2-aminoethyl)-1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]piperidine-3-carboxamide
CID 119480384
1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 81424795
2-[1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]piperidin-4-yl]acetic acid
CID 119178610
1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 99849466
1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81483913
1-benzyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]urea
CID 46555188
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807821
[2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone
CID 81484873

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea?
The IUPAC name of 1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea (CID 99776153) is 1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea?
The canonical SMILES for 1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea is C[C@@H](N)[C@@H]1CN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)CCO1.
What is the InChIKey of 1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea?
The InChIKey is OTNNJPPBNAABLB-RISCZKNCSA-N. The full InChI is InChI=1S/C16H23ClN4O3/c1-11(18)14-10-21(6-7-24-14)15(22)9-20-16(23)19-8-12-2-4-13(17)5-3-12/h2-5,11,14H,6-10,18H2,1H3,(H2,19,20,23)/t11-,14+/m1/s1.
What are the key properties of 1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea?
1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea has a molecular weight of 354.84 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea is sourced from PubChem (CID 99776153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).