3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide

C16H24N2O2 — CID 115426364

IUPAC3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CN(C(=O)C(C)(C)CN)C2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,11-17)15(19)18(13-6-7-13)10-12-4-8-14(20-3)9-5-12/h4-5,8-9,13H,6-7,10-11,17H2,1-3H3
InChIKeyZGCNAZNRETZVPA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.17
Rot. Bonds6

About 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide

3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide (PubChem CID 115426364) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
PubChem CID115426364
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CN(C(=O)C(C)(C)CN)C2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,11-17)15(19)18(13-6-7-13)10-12-4-8-14(20-3)9-5-12/h4-5,8-9,13H,6-7,10-11,17H2,1-3H3
InChIKeyZGCNAZNRETZVPA-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 119680480
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
[4-[(3-chloro-2,2-dimethylpropanoyl)-[(4-methoxyphenyl)methyl]amino]cyclohexyl]carbamic acid
CID 89388746
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775
1-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 65466614
2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate
CID 79346471
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
tert-butyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596382
(4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate
CID 90285225
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide (CID 115426364) is 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide is COc1ccc(CN(C(=O)C(C)(C)CN)C2CC2)cc1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is ZGCNAZNRETZVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,11-17)15(19)18(13-6-7-13)10-12-4-8-14(20-3)9-5-12/h4-5,8-9,13H,6-7,10-11,17H2,1-3H3.
What are the key properties of 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 115426364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).