N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide

C22H27NO3 — CID 55550866

IUPACN-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
SMILESCOc1ccc(CN(C(=O)COCc2ccccc2)C(C)C2CC2)cc1
InChIInChI=1S/C22H27NO3/c1-17(20-10-11-20)23(14-18-8-12-21(25-2)13-9-18)22(24)16-26-15-19-6-4-3-5-7-19/h3-9,12-13,17,20H,10-11,14-16H2,1-2H3
InChIKeyKHTKHSBIYMFPAY-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.04
Rot. Bonds9

About N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide

N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide (PubChem CID 55550866) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
PubChem CID55550866
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
SMILESCOc1ccc(CN(C(=O)COCc2ccccc2)C(C)C2CC2)cc1
InChIInChI=1S/C22H27NO3/c1-17(20-10-11-20)23(14-18-8-12-21(25-2)13-9-18)22(24)16-26-15-19-6-4-3-5-7-19/h3-9,12-13,17,20H,10-11,14-16H2,1-2H3
InChIKeyKHTKHSBIYMFPAY-UHFFFAOYSA-N
XLogP4.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 42945913
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55552365
N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580575
2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55670905
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 42945917
N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
CID 60592231
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide
CID 78913957
2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid
CID 100636955
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide
CID 55595511

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide (CID 55550866) is N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide is COc1ccc(CN(C(=O)COCc2ccccc2)C(C)C2CC2)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide?
The InChIKey is KHTKHSBIYMFPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-17(20-10-11-20)23(14-18-8-12-21(25-2)13-9-18)22(24)16-26-15-19-6-4-3-5-7-19/h3-9,12-13,17,20H,10-11,14-16H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide?
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide has a molecular weight of 353.46 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 55550866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).