3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide

C19H20N2O4 — CID 86956199

IUPAC3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide
SMILESCOc1cc(C(=O)NC(c2ccccc2)C2CC2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O4/c1-12-10-15(12)18(13-6-4-3-5-7-13)20-19(22)14-8-9-16(21(23)24)17(11-14)25-2/h3-9,11-12,15,18H,10H2,1-2H3,(H,20,22)
InChIKeyPAMFIYDQOGMCOY-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.73
Rot. Bonds6

About 3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide

3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide (PubChem CID 86956199) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide
PubChem CID86956199
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide
SMILESCOc1cc(C(=O)NC(c2ccccc2)C2CC2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O4/c1-12-10-15(12)18(13-6-4-3-5-7-13)20-19(22)14-8-9-16(21(23)24)17(11-14)25-2/h3-9,11-12,15,18H,10H2,1-2H3,(H,20,22)
InChIKeyPAMFIYDQOGMCOY-UHFFFAOYSA-N
XLogP3.73
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-methylcyclopropyl)-phenylmethyl]-3-nitrobenzamide
CID 86956169
methyl 3-[[(2-methylcyclopropyl)-phenylmethyl]carbamoyl]benzoate
CID 86956101
2-[(3-methoxy-4-nitrobenzoyl)amino]propanoic acid
CID 83767983
N-(1-chloropropan-2-yl)-3-methoxy-4-nitrobenzamide
CID 104784784
N-(1-chloro-3-methoxypropan-2-yl)-3-methoxy-4-nitrobenzamide
CID 106183180
2-[(3-methoxy-4-nitrobenzoyl)amino]pentanoic acid
CID 83767973
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxy-4-nitrobenzamide
CID 104783705
4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956089
2-[(3-methoxy-4-nitrobenzoyl)amino]pent-4-enoic acid
CID 104783331
cis-(1R,2S)-2-[(3-methoxy-4-nitrobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 97234210
N-[(3R)-hex-1-yn-3-yl]-3-methoxy-4-nitrobenzamide
CID 124680961
N-(1-amino-4-methylpentan-2-yl)-3-methoxy-4-nitrobenzamide
CID 115737402

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide?
The IUPAC name of 3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide (CID 86956199) is 3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide.
What is the SMILES notation for 3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide?
The canonical SMILES for 3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide is COc1cc(C(=O)NC(c2ccccc2)C2CC2C)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide?
The InChIKey is PAMFIYDQOGMCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-10-15(12)18(13-6-4-3-5-7-13)20-19(22)14-8-9-16(21(23)24)17(11-14)25-2/h3-9,11-12,15,18H,10H2,1-2H3,(H,20,22).
What are the key properties of 3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide?
3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide has a molecular weight of 340.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide is sourced from PubChem (CID 86956199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).