N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide

C33H41N3O5 — CID 142661708

IUPACN-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)cc1)c1ccc(C(=O)N(C)N(CC)Cc2ccc(OC)c(OC3CCCC3)c2)cc1
InChIInChI=1S/C33H41N3O5/c1-6-35(23-24-12-21-30(40-5)31(22-24)41-29-10-8-9-11-29)34(3)32(37)25-13-17-27(18-14-25)36(7-2)33(38)26-15-19-28(39-4)20-16-26/h12-22,29H,6-11,23H2,1-5H3
InChIKeyOTQIBAFMNDYTNI-UHFFFAOYSA-N
MW559.71 g/mol
LogP6.20
Rot. Bonds12

About N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide

N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide (PubChem CID 142661708) has the molecular formula C33H41N3O5 and a molecular weight of 559.71 g/mol. Its IUPAC name is N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide
PubChem CID142661708
Molecular FormulaC33H41N3O5
Molecular Weight559.71 g/mol
Exact Mass559.30
IUPAC NameN-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)cc1)c1ccc(C(=O)N(C)N(CC)Cc2ccc(OC)c(OC3CCCC3)c2)cc1
InChIInChI=1S/C33H41N3O5/c1-6-35(23-24-12-21-30(40-5)31(22-24)41-29-10-8-9-11-29)34(3)32(37)25-13-17-27(18-14-25)36(7-2)33(38)26-15-19-28(39-4)20-16-26/h12-22,29H,6-11,23H2,1-5H3
InChIKeyOTQIBAFMNDYTNI-UHFFFAOYSA-N
XLogP6.20
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopentyloxy-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 55833317
N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine
CID 110194299
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 15391990
3-(difluoromethoxy)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 55761516
N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(ethylamino)-N-methylbenzohydrazide;hydrochloride
CID 142661692
N-(3,4-dimethoxyphenyl)-N-ethyl-4-hydroxybenzamide
CID 142915133
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
CID 174456641
2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid
CID 120529887
ethyl 4-[3-cyclopentyloxy-4-methoxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]anilino]benzoate
CID 68552535
N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide
CID 175240156
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide?
The IUPAC name of N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide (CID 142661708) is N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide.
What is the SMILES notation for N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide?
The canonical SMILES for N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide is CCN(C(=O)c1ccc(OC)cc1)c1ccc(C(=O)N(C)N(CC)Cc2ccc(OC)c(OC3CCCC3)c2)cc1.
What is the InChIKey of N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide?
The InChIKey is OTQIBAFMNDYTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O5/c1-6-35(23-24-12-21-30(40-5)31(22-24)41-29-10-8-9-11-29)34(3)32(37)25-13-17-27(18-14-25)36(7-2)33(38)26-15-19-28(39-4)20-16-26/h12-22,29H,6-11,23H2,1-5H3.
What are the key properties of N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide?
N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide has a molecular weight of 559.71 g/mol, XLogP of 6.20, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-cyclopentyloxy-4-methoxyphenyl)methyl-ethylamino]-methylcarbamoyl]phenyl]-N-ethyl-4-methoxybenzamide is sourced from PubChem (CID 142661708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).