N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide

C16H20N2O4 — CID 47922463

IUPACN-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(CC2CCOC2)C2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H20N2O4/c1-11-8-13(2-5-15(11)18(20)21)16(19)17(14-3-4-14)9-12-6-7-22-10-12/h2,5,8,12,14H,3-4,6-7,9-10H2,1H3
InChIKeyRMDDQUKAGDNTNR-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.54
Rot. Bonds5

About N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide

N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 47922463) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide
PubChem CID47922463
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(CC2CCOC2)C2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H20N2O4/c1-11-8-13(2-5-15(11)18(20)21)16(19)17(14-3-4-14)9-12-6-7-22-10-12/h2,5,8,12,14H,3-4,6-7,9-10H2,1H3
InChIKeyRMDDQUKAGDNTNR-UHFFFAOYSA-N
XLogP2.54
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
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

methyl 3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]-5-nitrobenzoate
CID 95153456
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 129365728
4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 54904600
N-cyclopropyl-2,3-dimethyl-N-(oxolan-3-ylmethyl)-1H-indole-5-carboxamide
CID 87011207
4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 104782633
3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 93318244
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95054883
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-4-nitrobenzamide
CID 9298269
N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 95049582
N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 27859420
3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824847
3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 47209992

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide (CID 47922463) is N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide is Cc1cc(C(=O)N(CC2CCOC2)C2CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is RMDDQUKAGDNTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11-8-13(2-5-15(11)18(20)21)16(19)17(14-3-4-14)9-12-6-7-22-10-12/h2,5,8,12,14H,3-4,6-7,9-10H2,1H3.
What are the key properties of N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide?
N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 304.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 47922463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).