N-[4-(methylcarbamoylamino)cyclohexyl]butanamide

C12H23N3O2 — CID 166654553

IUPACN-[4-(methylcarbamoylamino)cyclohexyl]butanamide
SMILESCCCC(=O)NC1CCC(NC(=O)NC)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-11(16)14-9-5-7-10(8-6-9)15-12(17)13-2/h9-10H,3-8H2,1-2H3,(H,14,16)(H2,13,15,17)
InChIKeyRQTJRGDVVXXWDS-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.14
Rot. Bonds4

About N-[4-(methylcarbamoylamino)cyclohexyl]butanamide

N-[4-(methylcarbamoylamino)cyclohexyl]butanamide (PubChem CID 166654553) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[4-(methylcarbamoylamino)cyclohexyl]butanamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoylamino)cyclohexyl]butanamide
PubChem CID166654553
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[4-(methylcarbamoylamino)cyclohexyl]butanamide
SMILESCCCC(=O)NC1CCC(NC(=O)NC)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-11(16)14-9-5-7-10(8-6-9)15-12(17)13-2/h9-10H,3-8H2,1-2H3,(H,14,16)(H2,13,15,17)
InChIKeyRQTJRGDVVXXWDS-UHFFFAOYSA-N
XLogP1.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclooctylbutanamide
CID 4614062
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
N,N'-dicyclopropylbutanediamide
CID 5225156
N-(3-hydroxycyclopentyl)butanamide
CID 155457258
N-(4,4-difluorocyclohexyl)butanamide
CID 131166223
1-(4-fluorocyclohexyl)-3-methylurea
CID 130670834
1-(4-acetylcyclohexyl)-3-methylurea
CID 58664366
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide
CID 54871655
N-[3-(aminomethyl)cyclopentyl]butanamide
CID 165452357
N-(3-methoxycyclopentyl)butanamide
CID 103082475
N-[(1R,3S)-3-(aminomethyl)cyclopentyl]butanamide
CID 165443867
3-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 90305092

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoylamino)cyclohexyl]butanamide?
The IUPAC name of N-[4-(methylcarbamoylamino)cyclohexyl]butanamide (CID 166654553) is N-[4-(methylcarbamoylamino)cyclohexyl]butanamide.
What is the SMILES notation for N-[4-(methylcarbamoylamino)cyclohexyl]butanamide?
The canonical SMILES for N-[4-(methylcarbamoylamino)cyclohexyl]butanamide is CCCC(=O)NC1CCC(NC(=O)NC)CC1.
What is the InChIKey of N-[4-(methylcarbamoylamino)cyclohexyl]butanamide?
The InChIKey is RQTJRGDVVXXWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-4-11(16)14-9-5-7-10(8-6-9)15-12(17)13-2/h9-10H,3-8H2,1-2H3,(H,14,16)(H2,13,15,17).
What are the key properties of N-[4-(methylcarbamoylamino)cyclohexyl]butanamide?
N-[4-(methylcarbamoylamino)cyclohexyl]butanamide has a molecular weight of 241.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoylamino)cyclohexyl]butanamide is sourced from PubChem (CID 166654553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).