N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

C21H26N4O5 — CID 2901726

IUPACN-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H26N4O5/c1-29-19-8-7-16(25(27)28)15-17(19)22-21(26)9-10-23-11-13-24(14-12-23)18-5-3-4-6-20(18)30-2/h3-8,15H,9-14H2,1-2H3,(H,22,26)
InChIKeyBWQRKONAXBDRSQ-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.76
Rot. Bonds8

About N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 2901726) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID2901726
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC NameN-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H26N4O5/c1-29-19-8-7-16(25(27)28)15-17(19)22-21(26)9-10-23-11-13-24(14-12-23)18-5-3-4-6-20(18)30-2/h3-8,15H,9-14H2,1-2H3,(H,22,26)
InChIKeyBWQRKONAXBDRSQ-UHFFFAOYSA-N
XLogP2.76
TPSA97.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3'-Nitro-p-acetophenetidide
CID 15685
5'-Nitro-2'-propoxyacetanilide
CID 68377
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
4'-Methoxy-3'-nitroacetanilide
CID 95043
Acetamide, N-(2-methoxy-5-nitrophenyl)-
CID 97239
N-(2-methoxyphenyl)-3-(4-methylpiperazinyl)propanamide
CID 847303
N-(2-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2234469
N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
CID 2913143
3-[(4-Methoxyphenyl)amino]-1-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 2972083
N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 631854
N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
CID 674958
2-methoxy-5-nitro-N-(propan-2-yl)aniline
CID 792679

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 2901726) is N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is BWQRKONAXBDRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-29-19-8-7-16(25(27)28)15-17(19)22-21(26)9-10-23-11-13-24(14-12-23)18-5-3-4-6-20(18)30-2/h3-8,15H,9-14H2,1-2H3,(H,22,26).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 414.46 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 2901726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).