N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C16H24Cl2N2O — CID 119775158

IUPACN-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(c1ccc(Cl)cc1)C1CCC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-11(10-18-2)16(20)19-15(12-4-3-5-12)13-6-8-14(17)9-7-13;/h6-9,11-12,15,18H,3-5,10H2,1-2H3,(H,19,20);1H
InChIKeyXRSBLVWUTFOHEU-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.57
Rot. Bonds6

About N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119775158) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119775158
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC NameN-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(c1ccc(Cl)cc1)C1CCC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-11(10-18-2)16(20)19-15(12-4-3-5-12)13-6-8-14(17)9-7-13;/h6-9,11-12,15,18H,3-5,10H2,1-2H3,(H,19,20);1H
InChIKeyXRSBLVWUTFOHEU-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
CID 119318563
3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride
CID 120500453
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide
CID 171677203
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505907
4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
CID 120591728
3-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122000936
N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119782455
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
CID 56827234

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119775158) is N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NC(c1ccc(Cl)cc1)C1CCC1.Cl.
What is the InChIKey of N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is XRSBLVWUTFOHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-11(10-18-2)16(20)19-15(12-4-3-5-12)13-6-8-14(17)9-7-13;/h6-9,11-12,15,18H,3-5,10H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119775158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).