(2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide

C15H21ClN2O — CID 119327370

IUPAC(2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide
SMILESC[C@H](N)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1
InChIInChI=1S/C15H21ClN2O/c1-11(17)15(19)18(10-13-2-3-13)9-8-12-4-6-14(16)7-5-12/h4-7,11,13H,2-3,8-10,17H2,1H3/t11-/m0/s1
InChIKeyRLTHONDPQFZCPS-NSHDSACASA-N
MW280.80 g/mol
LogP2.47
Rot. Bonds6

About (2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide

(2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide (PubChem CID 119327370) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide
PubChem CID119327370
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide
SMILESC[C@H](N)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1
InChIInChI=1S/C15H21ClN2O/c1-11(17)15(19)18(10-13-2-3-13)9-8-12-4-6-14(16)7-5-12/h4-7,11,13H,2-3,8-10,17H2,1H3/t11-/m0/s1
InChIKeyRLTHONDPQFZCPS-NSHDSACASA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide (CID 119327370) is (2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide is C[C@H](N)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide?
The InChIKey is RLTHONDPQFZCPS-NSHDSACASA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(17)15(19)18(10-13-2-3-13)9-8-12-4-6-14(16)7-5-12/h4-7,11,13H,2-3,8-10,17H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide?
(2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide has a molecular weight of 280.80 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide is sourced from PubChem (CID 119327370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).