N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide

C15H29N3O2 — CID 134056980

IUPACN-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide
SMILESCCC(C)NC(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-3-12(2)17-14(19)10-7-11-16-15(20)18-13-8-5-4-6-9-13/h12-13H,3-11H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyGRYOXYROOOHJOK-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.31
Rot. Bonds7

About N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide

N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide (PubChem CID 134056980) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide
PubChem CID134056980
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide
SMILESCCC(C)NC(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-3-12(2)17-14(19)10-7-11-16-15(20)18-13-8-5-4-6-9-13/h12-13H,3-11H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyGRYOXYROOOHJOK-UHFFFAOYSA-N
XLogP2.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride
CID 120505486
N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493
N'-butan-2-yl-N-cycloheptylpropanediamide
CID 108941808
N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide
CID 119569667
2-[4-(cyclohexylcarbamoylamino)butanoylamino]-2-phenylacetic acid
CID 119113414
N-butan-2-yl-3-[[(cyclohexylamino)-(ethylamino)methylidene]amino]propanamide;hydroiodide
CID 110959166
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide
CID 51089111
4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide
CID 60516245
1-butan-2-yl-3-cyclopropylurea
CID 45366532
1-cyclopentyl-3-propylurea
CID 14343339
4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 16621291

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide?
The IUPAC name of N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide (CID 134056980) is N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide.
What is the SMILES notation for N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide?
The canonical SMILES for N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide is CCC(C)NC(=O)CCCNC(=O)NC1CCCCC1.
What is the InChIKey of N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide?
The InChIKey is GRYOXYROOOHJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-12(2)17-14(19)10-7-11-16-15(20)18-13-8-5-4-6-9-13/h12-13H,3-11H2,1-2H3,(H,17,19)(H2,16,18,20).
What are the key properties of N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide?
N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide has a molecular weight of 283.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide is sourced from PubChem (CID 134056980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).