N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide

C32H45N3O4 — CID 67744831

IUPACN,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)ccc1OCCCCCOc1ccc(C=NN)cc1
InChIInChI=1S/C32H45N3O4/c1-37-31-23-26(32(36)35(27-11-5-2-6-12-27)28-13-7-3-8-14-28)17-20-30(31)39-22-10-4-9-21-38-29-18-15-25(16-19-29)24-34-33/h15-20,23-24,27-28H,2-14,21-22,33H2,1H3
InChIKeyIBVSFJCKKBPFLH-UHFFFAOYSA-N
MW535.73 g/mol
LogP6.72
Rot. Bonds13

About N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide

N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide (PubChem CID 67744831) has the molecular formula C32H45N3O4 and a molecular weight of 535.73 g/mol. Its IUPAC name is N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
PubChem CID67744831
Molecular FormulaC32H45N3O4
Molecular Weight535.73 g/mol
Exact Mass535.34
IUPAC NameN,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)ccc1OCCCCCOc1ccc(C=NN)cc1
InChIInChI=1S/C32H45N3O4/c1-37-31-23-26(32(36)35(27-11-5-2-6-12-27)28-13-7-3-8-14-28)17-20-30(31)39-22-10-4-9-21-38-29-18-15-25(16-19-29)24-34-33/h15-20,23-24,27-28H,2-14,21-22,33H2,1H3
InChIKeyIBVSFJCKKBPFLH-UHFFFAOYSA-N
XLogP6.72
TPSA86.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.73
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide with MolForge

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Related Compounds

N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744802
N-benzyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744844
3-chloro-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-di(propan-2-yl)benzamide
CID 67744746
propan-2-yl N-[[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]phenyl]methylideneamino]carbamate
CID 54169069
4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-2,3-dimethoxy-N,N-di(propan-2-yl)benzamide;hydrochloride
CID 67744792
4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide
CID 142639027
3-methoxy-4-[5-[4-[(Z)-N'-methylsulfonylcarbamimidoyl]phenoxy]pentoxy]-N,N-di(propan-2-yl)benzamide
CID 18991708
N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide
CID 67780051
methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate
CID 168531338
4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide
CID 142639008
4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide
CID 15340521
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide?
The IUPAC name of N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide (CID 67744831) is N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide.
What is the SMILES notation for N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide?
The canonical SMILES for N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide is COc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)ccc1OCCCCCOc1ccc(C=NN)cc1.
What is the InChIKey of N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide?
The InChIKey is IBVSFJCKKBPFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3O4/c1-37-31-23-26(32(36)35(27-11-5-2-6-12-27)28-13-7-3-8-14-28)17-20-30(31)39-22-10-4-9-21-38-29-18-15-25(16-19-29)24-34-33/h15-20,23-24,27-28H,2-14,21-22,33H2,1H3.
What are the key properties of N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide?
N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide has a molecular weight of 535.73 g/mol, XLogP of 6.72, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide is sourced from PubChem (CID 67744831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).