1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide

C17H32N2O2 — CID 67540798

IUPAC1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide
SMILESNC(=O)CCCC1(C(N)=O)CCCCCCCCCCC1
InChIInChI=1S/C17H32N2O2/c18-15(20)11-10-14-17(16(19)21)12-8-6-4-2-1-3-5-7-9-13-17/h1-14H2,(H2,18,20)(H2,19,21)
InChIKeyTTXYELDFOKUMBJ-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.42
Rot. Bonds5

About 1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide

1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide (PubChem CID 67540798) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide.

Molecular Properties

Compound Name1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide
PubChem CID67540798
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide
SMILESNC(=O)CCCC1(C(N)=O)CCCCCCCCCCC1
InChIInChI=1S/C17H32N2O2/c18-15(20)11-10-14-17(16(19)21)12-8-6-4-2-1-3-5-7-9-13-17/h1-14H2,(H2,18,20)(H2,19,21)
InChIKeyTTXYELDFOKUMBJ-UHFFFAOYSA-N
XLogP3.42
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide
CID 23208382
1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide
CID 66641260
1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide
CID 70614792
1-butylcyclohexane-1-carboxamide
CID 57018178
1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;azepan-2-one
CID 70633655
1-decylcyclobutane-1-carboxamide
CID 10037267
cyclohexane;hexanediamide
CID 22340258
1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
CID 66632824
1-ethylcyclopentane-1-carboxamide
CID 55285008
1-(2-oxopropyl)cyclohexane-1-carboxamide
CID 20653176
6-(1-methylcyclohexyl)hexanamide
CID 154219195
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide?
The IUPAC name of 1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide (CID 67540798) is 1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide.
What is the SMILES notation for 1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide?
The canonical SMILES for 1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide is NC(=O)CCCC1(C(N)=O)CCCCCCCCCCC1.
What is the InChIKey of 1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide?
The InChIKey is TTXYELDFOKUMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c18-15(20)11-10-14-17(16(19)21)12-8-6-4-2-1-3-5-7-9-13-17/h1-14H2,(H2,18,20)(H2,19,21).
What are the key properties of 1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide?
1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide is sourced from PubChem (CID 67540798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).