N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide

C16H25FN2O2 — CID 61022683

IUPACN-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-5-11(2)19-16(20)8-9-18-12(3)13-6-7-15(21-4)14(17)10-13/h6-7,10-12,18H,5,8-9H2,1-4H3,(H,19,20)
InChIKeyLSBUHEFIZVUDNI-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.79
Rot. Bonds8

About N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide

N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide (PubChem CID 61022683) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide
PubChem CID61022683
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-5-11(2)19-16(20)8-9-18-12(3)13-6-7-15(21-4)14(17)10-13/h6-7,10-12,18H,5,8-9H2,1-4H3,(H,19,20)
InChIKeyLSBUHEFIZVUDNI-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide 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

N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 61022567
3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 84588011
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208198
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24550136
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 122559378
1-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976045

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide (CID 61022683) is N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide is CCC(C)NC(=O)CCNC(C)c1ccc(OC)c(F)c1.
What is the InChIKey of N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide?
The InChIKey is LSBUHEFIZVUDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-5-11(2)19-16(20)8-9-18-12(3)13-6-7-15(21-4)14(17)10-13/h6-7,10-12,18H,5,8-9H2,1-4H3,(H,19,20).
What are the key properties of N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide?
N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide has a molecular weight of 296.39 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 61022683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).