1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide

C38H73N5O5 — CID 70614792

IUPAC1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide
SMILESCCCCCCCCCC(N)=O.NC(=O)CCCC1(C(N)=O)CCCCCC1.NC(=O)CCCCCCCC1(C(N)=O)CCCCCC1
InChIInChI=1S/C16H30N2O2.C12H22N2O2.C10H21NO/c17-14(19)10-6-2-1-3-7-11-16(15(18)20)12-8-4-5-9-13-16;13-10(15)6-5-9-12(11(14)16)7-3-1-2-4-8-12;1-2-3-4-5-6-7-8-9-10(11)12/h1-13H2,(H2,17,19)(H2,18,20);1-9H2,(H2,13,15)(H2,14,16);2-9H2,1H3,(H2,11,12)
InChIKeyVIMBJEIMWIGJOJ-UHFFFAOYSA-N
MW680.03 g/mol
LogP7.11
Rot. Bonds22

About 1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide

1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide (PubChem CID 70614792) has the molecular formula C38H73N5O5 and a molecular weight of 680.03 g/mol. Its IUPAC name is 1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide.

Molecular Properties

Compound Name1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide
PubChem CID70614792
Molecular FormulaC38H73N5O5
Molecular Weight680.03 g/mol
Exact Mass679.56
IUPAC Name1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide
SMILESCCCCCCCCCC(N)=O.NC(=O)CCCC1(C(N)=O)CCCCCC1.NC(=O)CCCCCCCC1(C(N)=O)CCCCCC1
InChIInChI=1S/C16H30N2O2.C12H22N2O2.C10H21NO/c17-14(19)10-6-2-1-3-7-11-16(15(18)20)12-8-4-5-9-13-16;13-10(15)6-5-9-12(11(14)16)7-3-1-2-4-8-12;1-2-3-4-5-6-7-8-9-10(11)12/h1-13H2,(H2,17,19)(H2,18,20);1-9H2,(H2,13,15)(H2,14,16);2-9H2,1H3,(H2,11,12)
InChIKeyVIMBJEIMWIGJOJ-UHFFFAOYSA-N
XLogP7.11
TPSA215.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.03
LogP ≤ 57.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-decylcyclobutane-1-carboxamide
CID 10037267
1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide
CID 67540798
1-butylcyclohexane-1-carboxamide
CID 57018178
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
heptyl 1-heptylcyclohexane-1-carboxylate
CID 118023619
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide
CID 175975616

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide?
The IUPAC name of 1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide (CID 70614792) is 1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide.
What is the SMILES notation for 1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide?
The canonical SMILES for 1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide is CCCCCCCCCC(N)=O.NC(=O)CCCC1(C(N)=O)CCCCCC1.NC(=O)CCCCCCCC1(C(N)=O)CCCCCC1.
What is the InChIKey of 1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide?
The InChIKey is VIMBJEIMWIGJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.C12H22N2O2.C10H21NO/c17-14(19)10-6-2-1-3-7-11-16(15(18)20)12-8-4-5-9-13-16;13-10(15)6-5-9-12(11(14)16)7-3-1-2-4-8-12;1-2-3-4-5-6-7-8-9-10(11)12/h1-13H2,(H2,17,19)(H2,18,20);1-9H2,(H2,13,15)(H2,14,16);2-9H2,1H3,(H2,11,12).
What are the key properties of 1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide?
1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide has a molecular weight of 680.03 g/mol, XLogP of 7.11, 22 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide is sourced from PubChem (CID 70614792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).