2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide

C17H26N2O3 — CID 34979795

IUPAC2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide
SMILESCOc1ccc(OC)c(CN(CC(=O)NC(C)C)C2CC2)c1
InChIInChI=1S/C17H26N2O3/c1-12(2)18-17(20)11-19(14-5-6-14)10-13-9-15(21-3)7-8-16(13)22-4/h7-9,12,14H,5-6,10-11H2,1-4H3,(H,18,20)
InChIKeyPZKPCMPALYLBEL-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.19
Rot. Bonds8

About 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide

2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 34979795) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID34979795
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide
SMILESCOc1ccc(OC)c(CN(CC(=O)NC(C)C)C2CC2)c1
InChIInChI=1S/C17H26N2O3/c1-12(2)18-17(20)11-19(14-5-6-14)10-13-9-15(21-3)7-8-16(13)22-4/h7-9,12,14H,5-6,10-11H2,1-4H3,(H,18,20)
InChIKeyPZKPCMPALYLBEL-UHFFFAOYSA-N
XLogP2.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 34978448
2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356
1-(azocan-1-yl)-2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanone
CID 134007217
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide
CID 34982278
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetamide
CID 34960365
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8977636
(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119286967
3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 34982405
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)acetamide
CID 78860034
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide (CID 34979795) is 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide is COc1ccc(OC)c(CN(CC(=O)NC(C)C)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is PZKPCMPALYLBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)18-17(20)11-19(14-5-6-14)10-13-9-15(21-3)7-8-16(13)22-4/h7-9,12,14H,5-6,10-11H2,1-4H3,(H,18,20).
What are the key properties of 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide?
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 306.41 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 34979795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).