N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide

C14H22N2O3 — CID 61252269

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCc1cc(OC)ccc1OC
InChIInChI=1S/C14H22N2O3/c1-15-8-4-5-14(17)16-10-11-9-12(18-2)6-7-13(11)19-3/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,16,17)
InChIKeyDHTYNMZOYHJOPI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.32
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide

N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide (PubChem CID 61252269) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
PubChem CID61252269
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCc1cc(OC)ccc1OC
InChIInChI=1S/C14H22N2O3/c1-15-8-4-5-14(17)16-10-11-9-12(18-2)6-7-13(11)19-3/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,16,17)
InChIKeyDHTYNMZOYHJOPI-UHFFFAOYSA-N
XLogP1.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_A(5)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119802521
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-3-(methylamino)propanamide
CID 115153227
4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 61273980
N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
CID 71443665
5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 63363165
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide
CID 119778871
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide (CID 61252269) is N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide is CNCCCC(=O)NCc1cc(OC)ccc1OC.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide?
The InChIKey is DHTYNMZOYHJOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15-8-4-5-14(17)16-10-11-9-12(18-2)6-7-13(11)19-3/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,16,17).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide?
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide has a molecular weight of 266.34 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 61252269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).