4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide

C14H21FN2O3 — CID 119324659

IUPAC4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
SMILESCOc1cc(F)c(C(C)NC(=O)CCCN)cc1OC
InChIInChI=1S/C14H21FN2O3/c1-9(17-14(18)5-4-6-16)10-7-12(19-2)13(20-3)8-11(10)15/h7-9H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyRVZQUDTZOQGABR-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.76
Rot. Bonds7

About 4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide

4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide (PubChem CID 119324659) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
PubChem CID119324659
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
SMILESCOc1cc(F)c(C(C)NC(=O)CCCN)cc1OC
InChIInChI=1S/C14H21FN2O3/c1-9(17-14(18)5-4-6-16)10-7-12(19-2)13(20-3)8-11(10)15/h7-9H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyRVZQUDTZOQGABR-UHFFFAOYSA-N
XLogP1.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide
CID 119720154
(Z)-N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylpent-2-enamide
CID 95967414
2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide
CID 119324653
6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 61166957
3-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122002190
N-[3-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 86950290
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide
CID 119330269
2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide
CID 122146702
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119330268
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119324647
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119785383
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide (CID 119324659) is 4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide is COc1cc(F)c(C(C)NC(=O)CCCN)cc1OC.
What is the InChIKey of 4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide?
The InChIKey is RVZQUDTZOQGABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-9(17-14(18)5-4-6-16)10-7-12(19-2)13(20-3)8-11(10)15/h7-9H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide?
4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide has a molecular weight of 284.33 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 119324659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).