N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide

C19H30N2O — CID 112818359

IUPACN-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N(C)CC1CCCCC1
InChIInChI=1S/C19H30N2O/c1-16(20(2)14-17-10-6-4-7-11-17)19(22)21(3)15-18-12-8-5-9-13-18/h5,8-9,12-13,16-17H,4,6-7,10-11,14-15H2,1-3H3
InChIKeyMIWCXXASKNINPY-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.55
Rot. Bonds6

About N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide

N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide (PubChem CID 112818359) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide
PubChem CID112818359
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N(C)CC1CCCCC1
InChIInChI=1S/C19H30N2O/c1-16(20(2)14-17-10-6-4-7-11-17)19(22)21(3)15-18-12-8-5-9-13-18/h5,8-9,12-13,16-17H,4,6-7,10-11,14-15H2,1-3H3
InChIKeyMIWCXXASKNINPY-UHFFFAOYSA-N
XLogP3.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid
CID 61446245
benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate
CID 59978108
(2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide
CID 130520934
(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505
N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 110877728
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 112814762
N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide
CID 86984192
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
CID 61446057

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide?
The IUPAC name of N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide (CID 112818359) is N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide is CC(C(=O)N(C)Cc1ccccc1)N(C)CC1CCCCC1.
What is the InChIKey of N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide?
The InChIKey is MIWCXXASKNINPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-16(20(2)14-17-10-6-4-7-11-17)19(22)21(3)15-18-12-8-5-9-13-18/h5,8-9,12-13,16-17H,4,6-7,10-11,14-15H2,1-3H3.
What are the key properties of N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide?
N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide has a molecular weight of 302.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide is sourced from PubChem (CID 112818359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).