4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide

C16H26N2O4 — CID 120591848

IUPAC4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide
SMILESCOc1ccc(CC(C)NC(=O)CC(CN)OC)cc1OC
InChIInChI=1S/C16H26N2O4/c1-11(18-16(19)9-13(10-17)20-2)7-12-5-6-14(21-3)15(8-12)22-4/h5-6,8,11,13H,7,9-10,17H2,1-4H3,(H,18,19)
InChIKeyGKBAUZZTSKLZTL-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.11
Rot. Bonds9

About 4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide

4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide (PubChem CID 120591848) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide
PubChem CID120591848
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide
SMILESCOc1ccc(CC(C)NC(=O)CC(CN)OC)cc1OC
InChIInChI=1S/C16H26N2O4/c1-11(18-16(19)9-13(10-17)20-2)7-12-5-6-14(21-3)15(8-12)22-4/h5-6,8,11,13H,7,9-10,17H2,1-4H3,(H,18,19)
InChIKeyGKBAUZZTSKLZTL-UHFFFAOYSA-N
XLogP1.11
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120593966
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 139749507
2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119777153
2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide
CID 43545329
1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119319826
4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587300
4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590154
3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide
CID 119777160
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 119777156
methyl 4-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbutanoate
CID 66289003
4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
CID 120593617

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide (CID 120591848) is 4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide is COc1ccc(CC(C)NC(=O)CC(CN)OC)cc1OC.
What is the InChIKey of 4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide?
The InChIKey is GKBAUZZTSKLZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-11(18-16(19)9-13(10-17)20-2)7-12-5-6-14(21-3)15(8-12)22-4/h5-6,8,11,13H,7,9-10,17H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide?
4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide has a molecular weight of 310.39 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide is sourced from PubChem (CID 120591848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).