2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide

C14H22N2O3 — CID 81363996

IUPAC2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
SMILESCOCCC(N)C(=O)N[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O3/c1-10(11-4-6-12(19-3)7-5-11)16-14(17)13(15)8-9-18-2/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyMRBMPMWTJYYWDJ-NKUHCKNESA-N
MW266.34 g/mol
LogP1.24
Rot. Bonds7

About 2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide

2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide (PubChem CID 81363996) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
PubChem CID81363996
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
SMILESCOCCC(N)C(=O)N[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O3/c1-10(11-4-6-12(19-3)7-5-11)16-14(17)13(15)8-9-18-2/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyMRBMPMWTJYYWDJ-NKUHCKNESA-N
XLogP1.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 81363764
2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
CID 81350017
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81370961
4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81363763
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364305
2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylsulfonylbutanamide
CID 81368689
2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
CID 81070435
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methoxypentanamide
CID 81349504
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 81363654
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 107568369

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide (CID 81363996) is 2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide is COCCC(N)C(=O)N[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of 2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
The InChIKey is MRBMPMWTJYYWDJ-NKUHCKNESA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(11-4-6-12(19-3)7-5-11)16-14(17)13(15)8-9-18-2/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17)/t10-,13?/m0/s1.
What are the key properties of 2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide has a molecular weight of 266.34 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 81363996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).