(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide

C22H26N2O2 — CID 8770772

IUPAC(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide
SMILESCOc1ccc(CN(C2CC2)[C@H](C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O2/c1-26-20-13-7-16(8-14-20)15-24(19-11-12-19)21(17-5-3-2-4-6-17)22(25)23-18-9-10-18/h2-8,13-14,18-19,21H,9-12,15H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyVZWKCMYKWGXJKH-NRFANRHFSA-N
MW350.46 g/mol
LogP3.68
Rot. Bonds8

About (2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide

(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide (PubChem CID 8770772) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide
PubChem CID8770772
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide
SMILESCOc1ccc(CN(C2CC2)[C@H](C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O2/c1-26-20-13-7-16(8-14-20)15-24(19-11-12-19)21(17-5-3-2-4-6-17)22(25)23-18-9-10-18/h2-8,13-14,18-19,21H,9-12,15H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyVZWKCMYKWGXJKH-NRFANRHFSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopropyl-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-phenylacetamide
CID 8916196
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 122174537
N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 46823044
2-[benzyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
CID 86810113
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100515361
N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide
CID 17498608
(2R)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 8770830
2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 86809790
(2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 8770549
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118272342
3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea
CID 42696184
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 100511836

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide (CID 8770772) is (2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide is COc1ccc(CN(C2CC2)[C@H](C(=O)NC2CC2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide?
The InChIKey is VZWKCMYKWGXJKH-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-20-13-7-16(8-14-20)15-24(19-11-12-19)21(17-5-3-2-4-6-17)22(25)23-18-9-10-18/h2-8,13-14,18-19,21H,9-12,15H2,1H3,(H,23,25)/t21-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide has a molecular weight of 350.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 8770772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).