4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide

C15H22N2O2 — CID 54869898

IUPAC4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCOc1ccc(CN(C(=O)CCCN)C2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-19-14-8-4-12(5-9-14)11-17(13-6-7-13)15(18)3-2-10-16/h4-5,8-9,13H,2-3,6-7,10-11,16H2,1H3
InChIKeyVQISKKMDWPCWGM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.93
Rot. Bonds7

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

4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide (PubChem CID 54869898) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
PubChem CID54869898
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCOc1ccc(CN(C(=O)CCCN)C2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-19-14-8-4-12(5-9-14)11-17(13-6-7-13)15(18)3-2-10-16/h4-5,8-9,13H,2-3,6-7,10-11,16H2,1H3
InChIKeyVQISKKMDWPCWGM-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
5-(carbamoylamino)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 31449017
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
4-chloro-N-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 18198372
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115426364
6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775
7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309
2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119194676

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide (CID 54869898) is 4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide is COc1ccc(CN(C(=O)CCCN)C2CC2)cc1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide?
The InChIKey is VQISKKMDWPCWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-14-8-4-12(5-9-14)11-17(13-6-7-13)15(18)3-2-10-16/h4-5,8-9,13H,2-3,6-7,10-11,16H2,1H3.
What are the key properties of 4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide?
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide has a molecular weight of 262.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 54869898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).