N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide

C22H26N2O5 — CID 7991292

IUPACN-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1
InChIInChI=1S/C22H26N2O5/c1-3-12-23(14-16-4-5-16)22(25)15-29-21-11-8-18(24(26)27)13-20(21)17-6-9-19(28-2)10-7-17/h6-11,13,16H,3-5,12,14-15H2,1-2H3
InChIKeyZYVLMTCBNLOBKI-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.30
Rot. Bonds10

About N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide

N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide (PubChem CID 7991292) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide
PubChem CID7991292
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1
InChIInChI=1S/C22H26N2O5/c1-3-12-23(14-16-4-5-16)22(25)15-29-21-11-8-18(24(26)27)13-20(21)17-6-9-19(28-2)10-7-17/h6-11,13,16H,3-5,12,14-15H2,1-2H3
InChIKeyZYVLMTCBNLOBKI-UHFFFAOYSA-N
XLogP4.30
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide
CID 8700691
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8700775
1-[(2R)-2-ethylpiperidin-1-yl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
CID 7991216
1-(3,4-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
CID 7519463
1-(3-fluoro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
CID 7991333
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-1-(5-methylthiophen-2-yl)ethanone
CID 8700798
[2-(4-methoxyphenyl)-4-nitrophenyl] hydrogen carbonate
CID 22133672
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide
CID 7991213
N-(2,6-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 8700662
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(3-methylphenyl)acetamide
CID 7519396
N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 7519487
(2S)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N,N-di(propan-2-yl)propanamide
CID 9309369

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide (CID 7991292) is N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide is CCCN(CC1CC1)C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide?
The InChIKey is ZYVLMTCBNLOBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-12-23(14-16-4-5-16)22(25)15-29-21-11-8-18(24(26)27)13-20(21)17-6-9-19(28-2)10-7-17/h6-11,13,16H,3-5,12,14-15H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide?
N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide has a molecular weight of 398.46 g/mol, XLogP of 4.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide is sourced from PubChem (CID 7991292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).