3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide

C14H21ClN2O — CID 112501851

IUPAC3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide
SMILESCCC(C)N(Cc1ccc(Cl)cc1)C(=O)CCN
InChIInChI=1S/C14H21ClN2O/c1-3-11(2)17(14(18)8-9-16)10-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyLOAXXLFOSWEXJW-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.82
Rot. Bonds6

About 3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide

3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 112501851) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID112501851
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide
SMILESCCC(C)N(Cc1ccc(Cl)cc1)C(=O)CCN
InChIInChI=1S/C14H21ClN2O/c1-3-11(2)17(14(18)8-9-16)10-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyLOAXXLFOSWEXJW-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 112501771
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide
CID 92930297
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide
CID 112501488
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide
CID 39363585
3-amino-N-butan-2-yl-N-ethylpropanamide
CID 43274458
(E)-N-butan-2-yl-4-chloro-N-[(4-chlorophenyl)methyl]pent-2-enamide
CID 13101248
(2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100576957
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-chlorophenyl)methyl]butanamide
CID 132700122

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide (CID 112501851) is 3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide is CCC(C)N(Cc1ccc(Cl)cc1)C(=O)CCN.
What is the InChIKey of 3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is LOAXXLFOSWEXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-11(2)17(14(18)8-9-16)10-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10,16H2,1-2H3.
What are the key properties of 3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide?
3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 268.79 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 112501851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).