N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide

C14H21ClN2O — CID 81353743

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-4-16-10(2)9-14(18)17-11(3)12-5-7-13(15)8-6-12/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)/t10?,11-/m1/s1
InChIKeyXBABAODAEFUWCD-RRKGBCIJSA-N
MW268.79 g/mol
LogP2.91
Rot. Bonds6

About N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide (PubChem CID 81353743) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide
PubChem CID81353743
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-4-16-10(2)9-14(18)17-11(3)12-5-7-13(15)8-6-12/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)/t10?,11-/m1/s1
InChIKeyXBABAODAEFUWCD-RRKGBCIJSA-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

N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide
CID 62839086
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
3-(ethylamino)-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 55121061
3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366317
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(ethylamino)butanamide
CID 62838470
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648459
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
ethyl 4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-4-oxobutanoate
CID 81356588

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide (CID 81353743) is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide?
The InChIKey is XBABAODAEFUWCD-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-16-10(2)9-14(18)17-11(3)12-5-7-13(15)8-6-12/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)/t10?,11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide 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-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide is sourced from PubChem (CID 81353743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).