N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide

C15H26N4O — CID 87042127

IUPACN-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NCC1CCCCCCC1
InChIInChI=1S/C15H26N4O/c20-15(9-6-10-19-13-16-12-18-19)17-11-14-7-4-2-1-3-5-8-14/h12-14H,1-11H2,(H,17,20)
InChIKeySFYJMVJLUWSKGX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.54
Rot. Bonds6

About N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide

N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 87042127) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID87042127
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NCC1CCCCCCC1
InChIInChI=1S/C15H26N4O/c20-15(9-6-10-19-13-16-12-18-19)17-11-14-7-4-2-1-3-5-8-14/h12-14H,1-11H2,(H,17,20)
InChIKeySFYJMVJLUWSKGX-UHFFFAOYSA-N
XLogP2.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 154565061
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92578515
N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 119509840
N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
CID 121495008
N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 155937779
N-[(3aR,5S,6S,7aS)-6-(cyclopropylmethoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 172664452
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 110127909
N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62665464

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide (CID 87042127) is N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)NCC1CCCCCCC1.
What is the InChIKey of N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is SFYJMVJLUWSKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c20-15(9-6-10-19-13-16-12-18-19)17-11-14-7-4-2-1-3-5-8-14/h12-14H,1-11H2,(H,17,20).
What are the key properties of N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide?
N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 87042127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).