1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide

C22H26N2O3 — CID 55877109

IUPAC1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H26N2O3/c1-15(16-6-5-7-19(14-16)24(26)27)23-20(25)22(12-13-22)18-10-8-17(9-11-18)21(2,3)4/h5-11,14-15H,12-13H2,1-4H3,(H,23,25)
InChIKeyXUQTYVUSQAZPFU-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.80
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide

1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 55877109) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID55877109
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H26N2O3/c1-15(16-6-5-7-19(14-16)24(26)27)23-20(25)22(12-13-22)18-10-8-17(9-11-18)21(2,3)4/h5-11,14-15H,12-13H2,1-4H3,(H,23,25)
InChIKeyXUQTYVUSQAZPFU-UHFFFAOYSA-N
XLogP4.80
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65465737
3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63139771
N-[1-(3-nitrophenyl)ethyl]-3-oxobutanamide
CID 54867131
2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide
CID 64684273
(2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119287279
4-iodo-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 61062545
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[1-(3-nitrophenyl)ethyl]urea
CID 86778967
3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 54862606
1-[(1S)-1-(4-tert-butylphenyl)ethyl]-3-(3-nitrophenyl)thiourea
CID 1298535
3-amino-2-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 55104277
2-(azetidin-3-ylidene)-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 116675993
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide (CID 55877109) is 1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is XUQTYVUSQAZPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(16-6-5-7-19(14-16)24(26)27)23-20(25)22(12-13-22)18-10-8-17(9-11-18)21(2,3)4/h5-11,14-15H,12-13H2,1-4H3,(H,23,25).
What are the key properties of 1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide?
1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55877109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).