N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C14H24INO — CID 114504183

IUPACN-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESO=C(NCCCI)C1CCC2CCCCC2C1
InChIInChI=1S/C14H24INO/c15-8-3-9-16-14(17)13-7-6-11-4-1-2-5-12(11)10-13/h11-13H,1-10H2,(H,16,17)
InChIKeyAGZMSLOFUYUWKF-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.53
Rot. Bonds4

About N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 114504183) has the molecular formula C14H24INO and a molecular weight of 349.26 g/mol. Its IUPAC name is N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID114504183
Molecular FormulaC14H24INO
Molecular Weight349.26 g/mol
Exact Mass349.09
IUPAC NameN-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESO=C(NCCCI)C1CCC2CCCCC2C1
InChIInChI=1S/C14H24INO/c15-8-3-9-16-14(17)13-7-6-11-4-1-2-5-12(11)10-13/h11-13H,1-10H2,(H,16,17)
InChIKeyAGZMSLOFUYUWKF-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxy-4,4-dimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 109478612
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
N-(5-iodopentyl)cyclobutanecarboxamide
CID 107322514
N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106121226
N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 109478559
N-(3-cyclopentylpropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106015861
N-(6-iodohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107848037
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107724
N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107157845
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-1-one
CID 114962133

Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 114504183) is N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is O=C(NCCCI)C1CCC2CCCCC2C1.
What is the InChIKey of N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is AGZMSLOFUYUWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24INO/c15-8-3-9-16-14(17)13-7-6-11-4-1-2-5-12(11)10-13/h11-13H,1-10H2,(H,16,17).
What are the key properties of N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 349.26 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 114504183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).