4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane

C24H42N4O2 — CID 143522216

IUPAC4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane
SMILESC1CN(CC2CC2)CCN1.CC.COc1cc(C(=O)NC2CCCCC2)ccc1N
InChIInChI=1S/C14H20N2O2.C8H16N2.C2H6/c1-18-13-9-10(7-8-12(13)15)14(17)16-11-5-3-2-4-6-11;1-2-8(1)7-10-5-3-9-4-6-10;1-2/h7-9,11H,2-6,15H2,1H3,(H,16,17);8-9H,1-7H2;1-2H3
InChIKeyMHJOOQVLSOPQFH-UHFFFAOYSA-N
MW418.63 g/mol
LogP3.67
Rot. Bonds5

About 4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane

4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane (PubChem CID 143522216) has the molecular formula C24H42N4O2 and a molecular weight of 418.63 g/mol. Its IUPAC name is 4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane.

Molecular Properties

Compound Name4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane
PubChem CID143522216
Molecular FormulaC24H42N4O2
Molecular Weight418.63 g/mol
Exact Mass418.33
IUPAC Name4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane
SMILESC1CN(CC2CC2)CCN1.CC.COc1cc(C(=O)NC2CCCCC2)ccc1N
InChIInChI=1S/C14H20N2O2.C8H16N2.C2H6/c1-18-13-9-10(7-8-12(13)15)14(17)16-11-5-3-2-4-6-11;1-2-8(1)7-10-5-3-9-4-6-10;1-2/h7-9,11H,2-6,15H2,1H3,(H,16,17);8-9H,1-7H2;1-2H3
InChIKeyMHJOOQVLSOPQFH-UHFFFAOYSA-N
XLogP3.67
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide
CID 156882442
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
cyclopentyl 2-amino-4-[3-[(4-amino-3-methoxybenzoyl)amino]pyrrolidin-1-yl]butanoate
CID 77400335
methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate
CID 90859031
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane?
The IUPAC name of 4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane (CID 143522216) is 4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane.
What is the SMILES notation for 4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane?
The canonical SMILES for 4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane is C1CN(CC2CC2)CCN1.CC.COc1cc(C(=O)NC2CCCCC2)ccc1N.
What is the InChIKey of 4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane?
The InChIKey is MHJOOQVLSOPQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C8H16N2.C2H6/c1-18-13-9-10(7-8-12(13)15)14(17)16-11-5-3-2-4-6-11;1-2-8(1)7-10-5-3-9-4-6-10;1-2/h7-9,11H,2-6,15H2,1H3,(H,16,17);8-9H,1-7H2;1-2H3.
What are the key properties of 4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane?
4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane has a molecular weight of 418.63 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane is sourced from PubChem (CID 143522216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).