1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea

C15H21N3O3 — CID 71867771

IUPAC1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea
SMILESCC(C1CC1)N(C)C(=O)NCCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-11(12-7-8-12)17(2)15(19)16-10-9-13-5-3-4-6-14(13)18(20)21/h3-6,11-12H,7-10H2,1-2H3,(H,16,19)
InChIKeyZQYKVNIVFTZDNI-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.58
Rot. Bonds6

About 1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea

1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea (PubChem CID 71867771) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea
PubChem CID71867771
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea
SMILESCC(C1CC1)N(C)C(=O)NCCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-11(12-7-8-12)17(2)15(19)16-10-9-13-5-3-4-6-14(13)18(20)21/h3-6,11-12H,7-10H2,1-2H3,(H,16,19)
InChIKeyZQYKVNIVFTZDNI-UHFFFAOYSA-N
XLogP2.58
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.58
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'}

Analyze 1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119334599
1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea
CID 71864833
N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119093580
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38272161
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide
CID 115936543
1-(1-cyclopropylethyl)-1-methyl-3-propylurea
CID 115577776
3-methyl-N-[2-(2-nitrophenyl)ethyl]butan-2-amine
CID 63062789
4-[2-(2-nitrophenyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122003940
1,1-dimethyl-2-[2-(2-nitrophenyl)ethyl]hydrazine
CID 83014156
3-amino-2-methyl-N-[2-(2-nitrophenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119802876
5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide
CID 136550915
1-cyclopropyl-N-methyl-3-(2-nitrophenyl)propan-1-amine
CID 63354955

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea?
The IUPAC name of 1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea (CID 71867771) is 1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea is CC(C1CC1)N(C)C(=O)NCCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea?
The InChIKey is ZQYKVNIVFTZDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(12-7-8-12)17(2)15(19)16-10-9-13-5-3-4-6-14(13)18(20)21/h3-6,11-12H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea?
1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea has a molecular weight of 291.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea is sourced from PubChem (CID 71867771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).