N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide

C16H25ClN2O3 — CID 119996833

IUPACN-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(C)CN)cc1OCC
InChIInChI=1S/C16H25ClN2O3/c1-4-6-22-15-13(17)7-12(8-14(15)21-5-2)16(20)19-10-11(3)9-18/h7-8,11H,4-6,9-10,18H2,1-3H3,(H,19,20)
InChIKeyNHVWCWLCEGKOKL-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.85
Rot. Bonds9

About N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide

N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide (PubChem CID 119996833) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
PubChem CID119996833
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(C)CN)cc1OCC
InChIInChI=1S/C16H25ClN2O3/c1-4-6-22-15-13(17)7-12(8-14(15)21-5-2)16(20)19-10-11(3)9-18/h7-8,11H,4-6,9-10,18H2,1-3H3,(H,19,20)
InChIKeyNHVWCWLCEGKOKL-UHFFFAOYSA-N
XLogP2.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
CID 120652489
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-(2-amino-1-cyclopropylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119614001
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
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
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
(1-amino-1-oxopropan-2-yl) 3-chloro-5-ethoxy-4-propoxybenzoate
CID 6914957
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-3-chloro-5-ethoxy-4-propoxybenzamide
CID 51954145
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide (CID 119996833) is N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCC(C)CN)cc1OCC.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide?
The InChIKey is NHVWCWLCEGKOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3/c1-4-6-22-15-13(17)7-12(8-14(15)21-5-2)16(20)19-10-11(3)9-18/h7-8,11H,4-6,9-10,18H2,1-3H3,(H,19,20).
What are the key properties of N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide?
N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide has a molecular weight of 328.84 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 119996833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).