3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide

C14H20N2O2 — CID 39350832

IUPAC3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)CCN)C2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-18-13-6-2-11(3-7-13)10-16(12-4-5-12)14(17)8-9-15/h2-3,6-7,12H,4-5,8-10,15H2,1H3
InChIKeyMFOKWDKTDDLRSP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.53
Rot. Bonds6

About 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide

3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 39350832) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID39350832
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)CCN)C2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-18-13-6-2-11(3-7-13)10-16(12-4-5-12)14(17)8-9-15/h2-3,6-7,12H,4-5,8-10,15H2,1H3
InChIKeyMFOKWDKTDDLRSP-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
5-(carbamoylamino)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 31449017
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115426364
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
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-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 75462168
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041
4-chloro-N-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 18198372
N-cyclopropyl-3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 26378402

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide (CID 39350832) is 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CN(C(=O)CCN)C2CC2)cc1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is MFOKWDKTDDLRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-13-6-2-11(3-7-13)10-16(12-4-5-12)14(17)8-9-15/h2-3,6-7,12H,4-5,8-10,15H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide?
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.53, 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]propanamide is sourced from PubChem (CID 39350832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).