N-tert-butyl-3-(cyclooctylamino)propanamide

C15H30N2O — CID 112688516

IUPACN-tert-butyl-3-(cyclooctylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNC1CCCCCCC1
InChIInChI=1S/C15H30N2O/c1-15(2,3)17-14(18)11-12-16-13-9-7-5-4-6-8-10-13/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyMTJZTTZNQJQPKG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.99
Rot. Bonds4

About N-tert-butyl-3-(cyclooctylamino)propanamide

N-tert-butyl-3-(cyclooctylamino)propanamide (PubChem CID 112688516) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-tert-butyl-3-(cyclooctylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(cyclooctylamino)propanamide
PubChem CID112688516
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-tert-butyl-3-(cyclooctylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNC1CCCCCCC1
InChIInChI=1S/C15H30N2O/c1-15(2,3)17-14(18)11-12-16-13-9-7-5-4-6-8-10-13/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyMTJZTTZNQJQPKG-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide
CID 112688523
N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 112688507
3-(cyclopropylamino)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 60841584
N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide
CID 107907876
3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62519982
N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493
N-tert-butyl-3-[(2-propan-2-yloxan-4-yl)amino]propanamide
CID 115914511
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79799108
N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide
CID 47016225
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
4-(cyclooctylamino)-2,2-dimethylbutanoic acid
CID 122084393

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(cyclooctylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(cyclooctylamino)propanamide (CID 112688516) is N-tert-butyl-3-(cyclooctylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(cyclooctylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(cyclooctylamino)propanamide is CC(C)(C)NC(=O)CCNC1CCCCCCC1.
What is the InChIKey of N-tert-butyl-3-(cyclooctylamino)propanamide?
The InChIKey is MTJZTTZNQJQPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)17-14(18)11-12-16-13-9-7-5-4-6-8-10-13/h13,16H,4-12H2,1-3H3,(H,17,18).
What are the key properties of N-tert-butyl-3-(cyclooctylamino)propanamide?
N-tert-butyl-3-(cyclooctylamino)propanamide has a molecular weight of 254.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(cyclooctylamino)propanamide is sourced from PubChem (CID 112688516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).