3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide

C18H28ClNO3 — CID 56530425

IUPAC3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(C(C)C)C(C)C)cc1OCC
InChIInChI=1S/C18H28ClNO3/c1-7-9-23-17-15(19)10-14(11-16(17)22-8-2)18(21)20(12(3)4)13(5)6/h10-13H,7-9H2,1-6H3
InChIKeyPYWSUIZQRPBHKU-UHFFFAOYSA-N
MW341.88 g/mol
LogP4.79
Rot. Bonds8

About 3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide

3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide (PubChem CID 56530425) has the molecular formula C18H28ClNO3 and a molecular weight of 341.88 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide
PubChem CID56530425
Molecular FormulaC18H28ClNO3
Molecular Weight341.88 g/mol
Exact Mass341.18
IUPAC Name3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(C(C)C)C(C)C)cc1OCC
InChIInChI=1S/C18H28ClNO3/c1-7-9-23-17-15(19)10-14(11-16(17)22-8-2)18(21)20(12(3)4)13(5)6/h10-13H,7-9H2,1-6H3
InChIKeyPYWSUIZQRPBHKU-UHFFFAOYSA-N
XLogP4.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)-methylamino]propanoic acid
CID 119208643
(1-amino-1-oxopropan-2-yl) 3-chloro-5-ethoxy-4-propoxybenzoate
CID 6914957
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 55311387
3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
CID 120652489
N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 119996833
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 120506829
azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone
CID 78805812
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-chloro-5-ethoxy-4-propoxybenzoate
CID 8958163
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 55401581
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26877166

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide (CID 56530425) is 3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)N(C(C)C)C(C)C)cc1OCC.
What is the InChIKey of 3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide?
The InChIKey is PYWSUIZQRPBHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO3/c1-7-9-23-17-15(19)10-14(11-16(17)22-8-2)18(21)20(12(3)4)13(5)6/h10-13H,7-9H2,1-6H3.
What are the key properties of 3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide?
3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide has a molecular weight of 341.88 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide is sourced from PubChem (CID 56530425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).