N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide

C14H21ClN2O — CID 81354162

IUPACN-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
SMILESCCC(C)NC(=O)CN[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-4-10(2)17-14(18)9-16-11(3)12-5-7-13(15)8-6-12/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)/t10?,11-/m0/s1
InChIKeyJRIIEUPQMORZGD-DTIOYNMSSA-N
MW268.79 g/mol
LogP2.91
Rot. Bonds6

About N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide

N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide (PubChem CID 81354162) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
PubChem CID81354162
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
SMILESCCC(C)NC(=O)CN[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-4-10(2)17-14(18)9-16-11(3)12-5-7-13(15)8-6-12/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)/t10?,11-/m0/s1
InChIKeyJRIIEUPQMORZGD-DTIOYNMSSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
CID 60693866
N-butan-2-yl-2-[1-(4-ethylphenyl)ethylamino]acetamide
CID 60693867
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 60719784
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354492
N-butan-2-yl-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanamide
CID 81352053
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 9335310
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide (CID 81354162) is N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide is CCC(C)NC(=O)CN[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The InChIKey is JRIIEUPQMORZGD-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-10(2)17-14(18)9-16-11(3)12-5-7-13(15)8-6-12/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)/t10?,11-/m0/s1.
What are the key properties of N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide has a molecular weight of 268.79 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 81354162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).