2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide

C14H20ClN3O2 — CID 9306320

IUPAC2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN[C@H](C)c1ccccc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-3-8-16-14(20)18-13(19)9-17-10(2)11-6-4-5-7-12(11)15/h4-7,10,17H,3,8-9H2,1-2H3,(H2,16,18,19,20)/t10-/m1/s1
InChIKeySZVMAAXGYIUPKS-SNVBAGLBSA-N
MW297.79 g/mol
LogP2.23
Rot. Bonds6

About 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide (PubChem CID 9306320) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
PubChem CID9306320
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN[C@H](C)c1ccccc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-3-8-16-14(20)18-13(19)9-17-10(2)11-6-4-5-7-12(11)15/h4-7,10,17H,3,8-9H2,1-2H3,(H2,16,18,19,20)/t10-/m1/s1
InChIKeySZVMAAXGYIUPKS-SNVBAGLBSA-N
XLogP2.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573
N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18088433
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9306254
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-pentan-3-ylacetamide
CID 81377630
2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide
CID 47118036
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 9306793
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
CID 43400999
3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 103778315

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide (CID 9306320) is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN[C@H](C)c1ccccc1Cl.
What is the InChIKey of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide?
The InChIKey is SZVMAAXGYIUPKS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-8-16-14(20)18-13(19)9-17-10(2)11-6-4-5-7-12(11)15/h4-7,10,17H,3,8-9H2,1-2H3,(H2,16,18,19,20)/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide?
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide has a molecular weight of 297.79 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 9306320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).