N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide

C21H26N2O3 — CID 108986506

IUPACN-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-14-23(15-4-2)21(25)20(24)22-18-10-12-19(13-11-18)26-16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,24)
InChIKeyHZQJYZYBXJHFIY-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.85
Rot. Bonds8

About N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide

N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide (PubChem CID 108986506) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide
PubChem CID108986506
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-14-23(15-4-2)21(25)20(24)22-18-10-12-19(13-11-18)26-16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,24)
InChIKeyHZQJYZYBXJHFIY-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832179
N-(4-acetylphenyl)-N'-(4-phenylmethoxyphenyl)oxamide
CID 108987469
3-[methylsulfonyl(propyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113136007
propyl N-(4-phenylmethoxyphenyl)carbamate
CID 19169909
(2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide
CID 40547684
[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
CID 8692076
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide
CID 113000427
2-amino-N-(4-phenylmethoxyphenyl)pentanamide;hydrochloride
CID 119261538
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
2-[acetyl(benzyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113161318
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3329595

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide (CID 108986506) is N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide is CCCN(CCC)C(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide?
The InChIKey is HZQJYZYBXJHFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-14-23(15-4-2)21(25)20(24)22-18-10-12-19(13-11-18)26-16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,24).
What are the key properties of N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide?
N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide has a molecular weight of 354.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide is sourced from PubChem (CID 108986506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).