N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide

C14H22N2O2 — CID 62093484

IUPACN-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)CCN)cc1
InChIInChI=1S/C14H22N2O2/c1-11(9-10-15)16-14(17)8-5-12-3-6-13(18-2)7-4-12/h3-4,6-7,11H,5,8-10,15H2,1-2H3,(H,16,17)
InChIKeyVZEDPYJODKIMQT-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.48
Rot. Bonds7

About N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide

N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 62093484) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID62093484
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)CCN)cc1
InChIInChI=1S/C14H22N2O2/c1-11(9-10-15)16-14(17)8-5-12-3-6-13(18-2)7-4-12/h3-4,6-7,11H,5,8-10,15H2,1-2H3,(H,16,17)
InChIKeyVZEDPYJODKIMQT-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 65191439
3-(4-methoxyphenyl)-N-[(2R)-1-phenoxypropan-2-yl]propanamide
CID 94625030
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 79256223
N-[(2S)-1-(furan-3-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 97030226
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 63225839
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]pentanoic acid
CID 107563743
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide (CID 62093484) is N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC(C)CCN)cc1.
What is the InChIKey of N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is VZEDPYJODKIMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(9-10-15)16-14(17)8-5-12-3-6-13(18-2)7-4-12/h3-4,6-7,11H,5,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide?
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 62093484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).