3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide

C17H27ClN2O3 — CID 120653783

IUPAC3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCCN[C@H](C)CNC(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1
InChIInChI=1S/C17H27ClN2O3/c1-6-19-12(4)9-20-17(21)13-7-14(18)16(15(8-13)22-5)23-10-11(2)3/h7-8,11-12,19H,6,9-10H2,1-5H3,(H,20,21)/t12-/m1/s1
InChIKeyVBMGFZALLYBSKQ-GFCCVEGCSA-N
MW342.87 g/mol
LogP3.11
Rot. Bonds9

About 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide

3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide (PubChem CID 120653783) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
PubChem CID120653783
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCCN[C@H](C)CNC(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1
InChIInChI=1S/C17H27ClN2O3/c1-6-19-12(4)9-20-17(21)13-7-14(18)16(15(8-13)22-5)23-10-11(2)3/h7-8,11-12,19H,6,9-10H2,1-5H3,(H,20,21)/t12-/m1/s1
InChIKeyVBMGFZALLYBSKQ-GFCCVEGCSA-N
XLogP3.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
CID 120652489
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 41276636
3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 51153085
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide
CID 134058516
3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654646

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide (CID 120653783) is 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide is CCN[C@H](C)CNC(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1.
What is the InChIKey of 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is VBMGFZALLYBSKQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27ClN2O3/c1-6-19-12(4)9-20-17(21)13-7-14(18)16(15(8-13)22-5)23-10-11(2)3/h7-8,11-12,19H,6,9-10H2,1-5H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 342.87 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 120653783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).