4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide

C19H24N2O3 — CID 120588235

IUPAC4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
SMILESCOC(CN)CC(=O)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-23-18(12-20)11-19(22)21-13-15-7-9-17(10-8-15)24-14-16-5-3-2-4-6-16/h2-10,18H,11-14,20H2,1H3,(H,21,22)
InChIKeyRXDCMIXZZAGXIN-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.25
Rot. Bonds9

About 4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide

4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide (PubChem CID 120588235) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
PubChem CID120588235
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
SMILESCOC(CN)CC(=O)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-23-18(12-20)11-19(22)21-13-15-7-9-17(10-8-15)24-14-16-5-3-2-4-6-16/h2-10,18H,11-14,20H2,1H3,(H,21,22)
InChIKeyRXDCMIXZZAGXIN-UHFFFAOYSA-N
XLogP2.25
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543
4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588541
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
CID 107093408
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
CID 119712227
(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide
CID 57123573
(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride
CID 119712185
4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597422
4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide
CID 115156367

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide (CID 120588235) is 4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide is COC(CN)CC(=O)NCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide?
The InChIKey is RXDCMIXZZAGXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-18(12-20)11-19(22)21-13-15-7-9-17(10-8-15)24-14-16-5-3-2-4-6-16/h2-10,18H,11-14,20H2,1H3,(H,21,22).
What are the key properties of 4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide?
4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide has a molecular weight of 328.41 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 120588235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).