2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide

C17H26N2O2 — CID 115575468

IUPAC2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1ccc(C(NC(C)C(=O)NC(C)C)C2CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-11(2)18-17(20)12(3)19-16(13-5-6-13)14-7-9-15(21-4)10-8-14/h7-13,16,19H,5-6H2,1-4H3,(H,18,20)
InChIKeyARYWMSGJQKLXPE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.65
Rot. Bonds7

About 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide

2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide (PubChem CID 115575468) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
PubChem CID115575468
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1ccc(C(NC(C)C(=O)NC(C)C)C2CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-11(2)18-17(20)12(3)19-16(13-5-6-13)14-7-9-15(21-4)10-8-14/h7-13,16,19H,5-6H2,1-4H3,(H,18,20)
InChIKeyARYWMSGJQKLXPE-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
CID 115575469
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
CID 112804482
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide
CID 112811651
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
2-(4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 154459065
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 65229390
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide
CID 62837500
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide (CID 115575468) is 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide is COc1ccc(C(NC(C)C(=O)NC(C)C)C2CC2)cc1.
What is the InChIKey of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is ARYWMSGJQKLXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)18-17(20)12(3)19-16(13-5-6-13)14-7-9-15(21-4)10-8-14/h7-13,16,19H,5-6H2,1-4H3,(H,18,20).
What are the key properties of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide?
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115575468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).