2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide

C15H20ClN3O — CID 8636918

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide
SMILESC[C@H](NCC(=O)N(C)C(C)(C)C#N)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O/c1-11(12-5-7-13(16)8-6-12)18-9-14(20)19(4)15(2,3)10-17/h5-8,11,18H,9H2,1-4H3/t11-/m0/s1
InChIKeyAKBXICAJMQTCMM-NSHDSACASA-N
MW293.80 g/mol
LogP2.75
Rot. Bonds5

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide (PubChem CID 8636918) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide
PubChem CID8636918
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide
SMILESC[C@H](NCC(=O)N(C)C(C)(C)C#N)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O/c1-11(12-5-7-13(16)8-6-12)18-9-14(20)19(4)15(2,3)10-17/h5-8,11,18H,9H2,1-4H3/t11-/m0/s1
InChIKeyAKBXICAJMQTCMM-NSHDSACASA-N
XLogP2.75
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8637666
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanoethyl)acetamide
CID 34698036
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81352556
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
5-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2,2-dimethylpentanenitrile
CID 81353286
N,N-dimethyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide
CID 81355442
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 9043932
2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214641
N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
CID 55141055

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide (CID 8636918) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide is C[C@H](NCC(=O)N(C)C(C)(C)C#N)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide?
The InChIKey is AKBXICAJMQTCMM-NSHDSACASA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11(12-5-7-13(16)8-6-12)18-9-14(20)19(4)15(2,3)10-17/h5-8,11,18H,9H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide has a molecular weight of 293.80 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 8636918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).