N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide

C22H28N2O — CID 52676957

IUPACN-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(Cc1cccc(C)c1)C1CC1
InChIInChI=1S/C22H28N2O/c1-3-23(15-19-9-5-4-6-10-19)22(25)17-24(21-12-13-21)16-20-11-7-8-18(2)14-20/h4-11,14,21H,3,12-13,15-17H2,1-2H3
InChIKeyHAHFYEGWWOJNRW-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.01
Rot. Bonds8

About N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide

N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide (PubChem CID 52676957) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide
PubChem CID52676957
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(Cc1cccc(C)c1)C1CC1
InChIInChI=1S/C22H28N2O/c1-3-23(15-19-9-5-4-6-10-19)22(25)17-24(21-12-13-21)16-20-11-7-8-18(2)14-20/h4-11,14,21H,3,12-13,15-17H2,1-2H3
InChIKeyHAHFYEGWWOJNRW-UHFFFAOYSA-N
XLogP4.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide
CID 110929697
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992909
1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol
CID 24714412
1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 42837050
3-[3-[[cyclopropyl(ethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 54974929
N-ethyl-N-[(3-methylphenyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63876380
trans-(1R,2R)-1-N,1-N,2-N-tribenzyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 102466161
N-benzyl-2-[cyclopentyl(propan-2-yl)amino]-N-ethylacetamide
CID 56570177
2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 61186434
ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724
N-benzyl-N-ethyl-3-(3-methylanilino)propanamide
CID 109022921
2-amino-2-cyclopropyl-N-ethyl-N-[(3-methylphenyl)methyl]propanamide
CID 54870952

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide (CID 52676957) is N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CN(Cc1cccc(C)c1)C1CC1.
What is the InChIKey of N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide?
The InChIKey is HAHFYEGWWOJNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-23(15-19-9-5-4-6-10-19)22(25)17-24(21-12-13-21)16-20-11-7-8-18(2)14-20/h4-11,14,21H,3,12-13,15-17H2,1-2H3.
What are the key properties of N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide?
N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide has a molecular weight of 336.48 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide is sourced from PubChem (CID 52676957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).