N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide

C21H26N2O4 — CID 173251982

IUPACN-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide
SMILESCOCN(CCC(N)=O)C(=O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O4/c1-26-16-23(14-13-20(22)24)21(25)12-9-17-7-10-19(11-8-17)27-15-18-5-3-2-4-6-18/h2-8,10-11H,9,12-16H2,1H3,(H2,22,24)
InChIKeyMJSXJWGPIYOMRV-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.51
Rot. Bonds11

About N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide

N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide (PubChem CID 173251982) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide
PubChem CID173251982
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide
SMILESCOCN(CCC(N)=O)C(=O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O4/c1-26-16-23(14-13-20(22)24)21(25)12-9-17-7-10-19(11-8-17)27-15-18-5-3-2-4-6-18/h2-8,10-11H,9,12-16H2,1H3,(H2,22,24)
InChIKeyMJSXJWGPIYOMRV-UHFFFAOYSA-N
XLogP2.51
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 19903100
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
3-[4-[(4-phenacyloxyphenyl)methoxy]phenyl]propanamide
CID 66685338
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide
CID 22983764
3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide
CID 16576333

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide (CID 173251982) is N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide is COCN(CCC(N)=O)C(=O)CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is MJSXJWGPIYOMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-26-16-23(14-13-20(22)24)21(25)12-9-17-7-10-19(11-8-17)27-15-18-5-3-2-4-6-18/h2-8,10-11H,9,12-16H2,1H3,(H2,22,24).
What are the key properties of N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide?
N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 370.45 g/mol, XLogP of 2.51, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 173251982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).