4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide

C16H22N2O3 — CID 106911851

IUPAC4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(C3OCCO3)cc2)CC1
InChIInChI=1S/C16H22N2O3/c17-13-5-1-11(2-6-13)15(19)18-14-7-3-12(4-8-14)16-20-9-10-21-16/h3-4,7-8,11,13,16H,1-2,5-6,9-10,17H2,(H,18,19)
InChIKeyIMYSABUKEGJLKT-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.19
Rot. Bonds3

About 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide

4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 106911851) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID106911851
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(C3OCCO3)cc2)CC1
InChIInChI=1S/C16H22N2O3/c17-13-5-1-11(2-6-13)15(19)18-14-7-3-12(4-8-14)16-20-9-10-21-16/h3-4,7-8,11,13,16H,1-2,5-6,9-10,17H2,(H,18,19)
InChIKeyIMYSABUKEGJLKT-UHFFFAOYSA-N
XLogP2.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[4-(1,3-dioxolan-2-yl)phenyl]piperidine-4-carboxamide
CID 110745350
3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide
CID 106911930
4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 60848648
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
CID 70892650
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 60849621
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 60847300
N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 110732799

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide (CID 106911851) is 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2ccc(C3OCCO3)cc2)CC1.
What is the InChIKey of 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is IMYSABUKEGJLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-13-5-1-11(2-6-13)15(19)18-14-7-3-12(4-8-14)16-20-9-10-21-16/h3-4,7-8,11,13,16H,1-2,5-6,9-10,17H2,(H,18,19).
What are the key properties of 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide?
4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106911851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).