3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide

C15H24N2O4 — CID 119720284

IUPAC3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide
SMILESCOc1cc(C(C)NC(=O)CC(C)N)cc(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-9(16)6-14(18)17-10(2)11-7-12(19-3)15(21-5)13(8-11)20-4/h7-10H,6,16H2,1-5H3,(H,17,18)
InChIKeyBIOIPCRYNFQFKD-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.63
Rot. Bonds7

About 3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide

3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide (PubChem CID 119720284) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide
PubChem CID119720284
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide
SMILESCOc1cc(C(C)NC(=O)CC(C)N)cc(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-9(16)6-14(18)17-10(2)11-7-12(19-3)15(21-5)13(8-11)20-4/h7-10H,6,16H2,1-5H3,(H,17,18)
InChIKeyBIOIPCRYNFQFKD-UHFFFAOYSA-N
XLogP1.63
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]butanamide
CID 119722964
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
2-naphthalen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 55709663
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
CID 51346106
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7948779
2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55714675
4-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one
CID 116940614
[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 95181099
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7719229
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7719228

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide (CID 119720284) is 3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide is COc1cc(C(C)NC(=O)CC(C)N)cc(OC)c1OC.
What is the InChIKey of 3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide?
The InChIKey is BIOIPCRYNFQFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-9(16)6-14(18)17-10(2)11-7-12(19-3)15(21-5)13(8-11)20-4/h7-10H,6,16H2,1-5H3,(H,17,18).
What are the key properties of 3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide?
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide has a molecular weight of 296.37 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 119720284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).