N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride

C15H24Cl2N2O3 — CID 120506829

IUPACN-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Cl)cc(C(=O)N[C@@H](C)CN)cc1OCC.Cl
InChIInChI=1S/C15H23ClN2O3.ClH/c1-4-6-21-14-12(16)7-11(8-13(14)20-5-2)15(19)18-10(3)9-17;/h7-8,10H,4-6,9,17H2,1-3H3,(H,18,19);1H/t10-;/m0./s1
InChIKeyRRWQHYSLKFUPPN-PPHPATTJSA-N
MW351.27 g/mol
LogP3.03
Rot. Bonds8

About N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride (PubChem CID 120506829) has the molecular formula C15H24Cl2N2O3 and a molecular weight of 351.27 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
PubChem CID120506829
Molecular FormulaC15H24Cl2N2O3
Molecular Weight351.27 g/mol
Exact Mass350.12
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Cl)cc(C(=O)N[C@@H](C)CN)cc1OCC.Cl
InChIInChI=1S/C15H23ClN2O3.ClH/c1-4-6-21-14-12(16)7-11(8-13(14)20-5-2)15(19)18-10(3)9-17;/h7-8,10H,4-6,9,17H2,1-3H3,(H,18,19);1H/t10-;/m0./s1
InChIKeyRRWQHYSLKFUPPN-PPHPATTJSA-N
XLogP3.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119614001
N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 119996833
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-3-chloro-5-ethoxy-4-propoxybenzamide
CID 51954145
N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
CID 120504957
3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
CID 120652489
N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 51308756
ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate
CID 95782335
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
(1-amino-1-oxopropan-2-yl) 3-chloro-5-ethoxy-4-propoxybenzoate
CID 6914957
3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide
CID 56530425
N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119475557

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride (CID 120506829) is N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride is CCCOc1c(Cl)cc(C(=O)N[C@@H](C)CN)cc1OCC.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride?
The InChIKey is RRWQHYSLKFUPPN-PPHPATTJSA-N. The full InChI is InChI=1S/C15H23ClN2O3.ClH/c1-4-6-21-14-12(16)7-11(8-13(14)20-5-2)15(19)18-10(3)9-17;/h7-8,10H,4-6,9,17H2,1-3H3,(H,18,19);1H/t10-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride has a molecular weight of 351.27 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride is sourced from PubChem (CID 120506829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).