2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide

C15H24N2O2 — CID 65227293

IUPAC2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCC(CN)C(=O)N(CC)Cc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-13(10-16)15(18)17(5-2)11-12-6-8-14(19-3)9-7-12/h6-9,13H,4-5,10-11,16H2,1-3H3
InChIKeyUYYYFJYMLFWWNN-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.03
Rot. Bonds7

About 2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide

2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide (PubChem CID 65227293) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
PubChem CID65227293
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCC(CN)C(=O)N(CC)Cc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-13(10-16)15(18)17(5-2)11-12-6-8-14(19-3)9-7-12/h6-9,13H,4-5,10-11,16H2,1-3H3
InChIKeyUYYYFJYMLFWWNN-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 93372926
(2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide
CID 104907794
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
2-(aminomethyl)-1-(4-methoxyphenyl)butan-1-one
CID 116575155
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
N-[(4-ethoxyphenyl)methyl]-N-ethyl-2-methoxybutanamide
CID 131938327
2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide
CID 107471113
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742
2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 167827972
4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 63307538
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide (CID 65227293) is 2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide is CCC(CN)C(=O)N(CC)Cc1ccc(OC)cc1.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide?
The InChIKey is UYYYFJYMLFWWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-13(10-16)15(18)17(5-2)11-12-6-8-14(19-3)9-7-12/h6-9,13H,4-5,10-11,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide?
2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 65227293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).