3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide

C17H27ClN2O3 — CID 120652489

IUPAC3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NC[C@@H](C)NCC)cc1OCC
InChIInChI=1S/C17H27ClN2O3/c1-5-8-23-16-14(18)9-13(10-15(16)22-7-3)17(21)20-11-12(4)19-6-2/h9-10,12,19H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
InChIKeyJENJRNTYDJZBHX-GFCCVEGCSA-N
MW342.87 g/mol
LogP3.26
Rot. Bonds10

About 3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide

3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide (PubChem CID 120652489) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
PubChem CID120652489
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NC[C@@H](C)NCC)cc1OCC
InChIInChI=1S/C17H27ClN2O3/c1-5-8-23-16-14(18)9-13(10-15(16)22-7-3)17(21)20-11-12(4)19-6-2/h9-10,12,19H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
InChIKeyJENJRNTYDJZBHX-GFCCVEGCSA-N
XLogP3.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 119996833
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 120653783
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 120506829
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-3-chloro-5-ethoxy-4-propoxybenzamide
CID 51954145
3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide
CID 56530425
3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide
CID 55332491
2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)-methylamino]propanoic acid
CID 119208643
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 78783545
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate
CID 30875825

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide (CID 120652489) is 3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NC[C@@H](C)NCC)cc1OCC.
What is the InChIKey of 3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide?
The InChIKey is JENJRNTYDJZBHX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27ClN2O3/c1-5-8-23-16-14(18)9-13(10-15(16)22-7-3)17(21)20-11-12(4)19-6-2/h9-10,12,19H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide?
3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide has a molecular weight of 342.87 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide is sourced from PubChem (CID 120652489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).