1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea

C15H19N3O3 — CID 51961740

IUPAC1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea
SMILESC[C@@H](C1CC1)N(C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C15H19N3O3/c1-10(11-6-7-11)17(12-8-9-12)15(19)16-13-4-2-3-5-14(13)18(20)21/h2-5,10-12H,6-9H2,1H3,(H,16,19)/t10-/m0/s1
InChIKeyXNKSAFXXNIRYIJ-JTQLQIEISA-N
MW289.33 g/mol
LogP3.39
Rot. Bonds5

About 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea

1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea (PubChem CID 51961740) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea
PubChem CID51961740
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea
SMILESC[C@@H](C1CC1)N(C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C15H19N3O3/c1-10(11-6-7-11)17(12-8-9-12)15(19)16-13-4-2-3-5-14(13)18(20)21/h2-5,10-12H,6-9H2,1H3,(H,16,19)/t10-/m0/s1
InChIKeyXNKSAFXXNIRYIJ-JTQLQIEISA-N
XLogP3.39
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.39
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

2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide
CID 99775382
2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide
CID 51965724
2-[[(1R)-1-(2-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide
CID 51961221
2-[[(1S)-1-(2-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide
CID 51961219
2-[cyclopropyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 60833248
1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea
CID 71867771
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 46444137
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 7717359
(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2-nitrophenyl)propanamide
CID 8896324
N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide
CID 4522146
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
CID 81048657

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea?
The IUPAC name of 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea (CID 51961740) is 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea?
The canonical SMILES for 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea is C[C@@H](C1CC1)N(C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea?
The InChIKey is XNKSAFXXNIRYIJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(11-6-7-11)17(12-8-9-12)15(19)16-13-4-2-3-5-14(13)18(20)21/h2-5,10-12H,6-9H2,1H3,(H,16,19)/t10-/m0/s1.
What are the key properties of 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea?
1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea has a molecular weight of 289.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea is sourced from PubChem (CID 51961740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).