(2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide

C17H24ClN3O4 — CID 7099535

IUPAC(2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)[C@H](NC(=O)CNC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O4/c1-3-25-10-4-9-19-17(24)16(13-5-7-14(18)8-6-13)21-15(23)11-20-12(2)22/h5-8,16H,3-4,9-11H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeyQBQGZJINJNMLOJ-MRXNPFEDSA-N
MW369.85 g/mol
LogP1.18
Rot. Bonds10

About (2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide

(2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide (PubChem CID 7099535) has the molecular formula C17H24ClN3O4 and a molecular weight of 369.85 g/mol. Its IUPAC name is (2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide
PubChem CID7099535
Molecular FormulaC17H24ClN3O4
Molecular Weight369.85 g/mol
Exact Mass369.15
IUPAC Name(2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)[C@H](NC(=O)CNC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O4/c1-3-25-10-4-9-19-17(24)16(13-5-7-14(18)8-6-13)21-15(23)11-20-12(2)22/h5-8,16H,3-4,9-11H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeyQBQGZJINJNMLOJ-MRXNPFEDSA-N
XLogP1.18
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide
CID 7288079
2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 3306259
4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 7288100
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 125144861
N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
CID 21369940
1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110024080
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone
CID 82101457
(2S)-2-(3-ethoxypropylcarbamoylamino)-2-phenylacetic acid
CID 103994194
2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
CID 46770327
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea
CID 108908330
3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide
CID 51256293

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide?
The IUPAC name of (2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide (CID 7099535) is (2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for (2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for (2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)[C@H](NC(=O)CNC(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide?
The InChIKey is QBQGZJINJNMLOJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24ClN3O4/c1-3-25-10-4-9-19-17(24)16(13-5-7-14(18)8-6-13)21-15(23)11-20-12(2)22/h5-8,16H,3-4,9-11H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)/t16-/m1/s1.
What are the key properties of (2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide?
(2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide has a molecular weight of 369.85 g/mol, XLogP of 1.18, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 7099535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).