4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide

C20H26N2O3 — CID 119288244

IUPAC4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
SMILESCOc1cc(C(C)NC(=O)CCCN)ccc1OCc1ccccc1
InChIInChI=1S/C20H26N2O3/c1-15(22-20(23)9-6-12-21)17-10-11-18(19(13-17)24-2)25-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12,14,21H2,1-2H3,(H,22,23)
InChIKeyIJOMZJPBFOWAAN-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.19
Rot. Bonds9

About 4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide

4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide (PubChem CID 119288244) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
PubChem CID119288244
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
SMILESCOc1cc(C(C)NC(=O)CCCN)ccc1OCc1ccccc1
InChIInChI=1S/C20H26N2O3/c1-15(22-20(23)9-6-12-21)17-10-11-18(19(13-17)24-2)25-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12,14,21H2,1-2H3,(H,22,23)
InChIKeyIJOMZJPBFOWAAN-UHFFFAOYSA-N
XLogP3.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 61166957
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119852198
4-(4-chlorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]butanamide
CID 55807066
2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride
CID 120986679
4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119267799
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47063290
4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
CID 119288180
3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 47067149
2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
CID 55806619
2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119721271
5-(1,3-benzothiazol-2-yl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]pentanamide
CID 55806868

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide (CID 119288244) is 4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide is COc1cc(C(C)NC(=O)CCCN)ccc1OCc1ccccc1.
What is the InChIKey of 4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide?
The InChIKey is IJOMZJPBFOWAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(22-20(23)9-6-12-21)17-10-11-18(19(13-17)24-2)25-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12,14,21H2,1-2H3,(H,22,23).
What are the key properties of 4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide?
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide has a molecular weight of 342.44 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 119288244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).