1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea

C20H31N5O3 — CID 55513953

IUPAC1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea
SMILESCc1ccc(NCC(=O)NNC(=O)CCCNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H31N5O3/c1-15-9-11-16(12-10-15)22-14-19(27)25-24-18(26)8-5-13-21-20(28)23-17-6-3-2-4-7-17/h9-12,17,22H,2-8,13-14H2,1H3,(H,24,26)(H,25,27)(H2,21,23,28)
InChIKeyWUBJYYOZOQDZHZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.97
Rot. Bonds8

About 1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea

1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea (PubChem CID 55513953) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea
PubChem CID55513953
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea
SMILESCc1ccc(NCC(=O)NNC(=O)CCCNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H31N5O3/c1-15-9-11-16(12-10-15)22-14-19(27)25-24-18(26)8-5-13-21-20(28)23-17-6-3-2-4-7-17/h9-12,17,22H,2-8,13-14H2,1H3,(H,24,26)(H,25,27)(H2,21,23,28)
InChIKeyWUBJYYOZOQDZHZ-UHFFFAOYSA-N
XLogP1.97
TPSA111.36 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea with MolForge

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Related Compounds

N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
2-cyclopentyl-N'-[2-(4-methylanilino)acetyl]acetohydrazide
CID 18140158
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
benzyl 2-[4-(cyclohexylcarbamoylamino)butanoylamino]acetate
CID 16614928
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 86921824
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 18152915
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 4981107
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836
4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide
CID 56557543
N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide
CID 31031780
4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide
CID 79401604

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea (CID 55513953) is 1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea is Cc1ccc(NCC(=O)NNC(=O)CCCNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea?
The InChIKey is WUBJYYOZOQDZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-15-9-11-16(12-10-15)22-14-19(27)25-24-18(26)8-5-13-21-20(28)23-17-6-3-2-4-7-17/h9-12,17,22H,2-8,13-14H2,1H3,(H,24,26)(H,25,27)(H2,21,23,28).
What are the key properties of 1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea?
1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea has a molecular weight of 389.50 g/mol, XLogP of 1.97, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea is sourced from PubChem (CID 55513953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).