4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide

C19H26N4O3 — CID 86921824

IUPAC4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
SMILESCc1nc2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)cc2o1
InChIInChI=1S/C19H26N4O3/c1-13-21-16-10-9-15(12-17(16)26-13)22-18(24)8-5-11-20-19(25)23-14-6-3-2-4-7-14/h9-10,12,14H,2-8,11H2,1H3,(H,22,24)(H2,20,23,25)
InChIKeySFOFYLLRQGDEJJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.49
Rot. Bonds6

About 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide

4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide (PubChem CID 86921824) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
PubChem CID86921824
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
SMILESCc1nc2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)cc2o1
InChIInChI=1S/C19H26N4O3/c1-13-21-16-10-9-15(12-17(16)26-13)22-18(24)8-5-11-20-19(25)23-14-6-3-2-4-7-14/h9-10,12,14H,2-8,11H2,1H3,(H,22,24)(H2,20,23,25)
InChIKeySFOFYLLRQGDEJJ-UHFFFAOYSA-N
XLogP3.49
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 18152915
5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid
CID 115163815
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
3-[6-(cyclohexylcarbamoylamino)hexanoylamino]benzoic acid
CID 119219607
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836
4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide
CID 56509969
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 18225712
4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide
CID 56557543
1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea
CID 55513953
N-(1,3-benzothiazol-2-yl)-4-(cyclohexylcarbamoylamino)butanamide
CID 16614965

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide (CID 86921824) is 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide is Cc1nc2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)cc2o1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide?
The InChIKey is SFOFYLLRQGDEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-21-16-10-9-15(12-17(16)26-13)22-18(24)8-5-11-20-19(25)23-14-6-3-2-4-7-14/h9-10,12,14H,2-8,11H2,1H3,(H,22,24)(H2,20,23,25).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide?
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide has a molecular weight of 358.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide is sourced from PubChem (CID 86921824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).