2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide

C14H21ClN2O — CID 81378852

IUPAC2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-9(2)16-14(18)11(4)17-10(3)12-7-5-6-8-13(12)15/h5-11,17H,1-4H3,(H,16,18)/t10-,11?/m1/s1
InChIKeyMANNOMOLPMOYPQ-NFJWQWPMSA-N
MW268.79 g/mol
LogP2.90
Rot. Bonds5

About 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide (PubChem CID 81378852) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
PubChem CID81378852
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-9(2)16-14(18)11(4)17-10(3)12-7-5-6-8-13(12)15/h5-11,17H,1-4H3,(H,16,18)/t10-,11?/m1/s1
InChIKeyMANNOMOLPMOYPQ-NFJWQWPMSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224
(2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide
CID 51925554
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9306303
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81378293
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]propan-1-one
CID 60676820
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8599075
2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide
CID 65499751
2-[1-(2-chlorophenyl)ethylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55352204
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 81401315

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide (CID 81378852) is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N[C@H](C)c1ccccc1Cl.
What is the InChIKey of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is MANNOMOLPMOYPQ-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(2)16-14(18)11(4)17-10(3)12-7-5-6-8-13(12)15/h5-11,17H,1-4H3,(H,16,18)/t10-,11?/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide?
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 268.79 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 81378852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).