N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride

C18H28Cl2N2O3 — CID 119575203

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
SMILESCCCCOc1c(Cl)cc(C(=O)NC(C)(CN)C2CC2)cc1OC.Cl
InChIInChI=1S/C18H27ClN2O3.ClH/c1-4-5-8-24-16-14(19)9-12(10-15(16)23-3)17(22)21-18(2,11-20)13-6-7-13;/h9-10,13H,4-8,11,20H2,1-3H3,(H,21,22);1H
InChIKeyXFPUQQCTXYQREC-UHFFFAOYSA-N
MW391.34 g/mol
LogP3.81
Rot. Bonds9

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride (PubChem CID 119575203) has the molecular formula C18H28Cl2N2O3 and a molecular weight of 391.34 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
PubChem CID119575203
Molecular FormulaC18H28Cl2N2O3
Molecular Weight391.34 g/mol
Exact Mass390.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
SMILESCCCCOc1c(Cl)cc(C(=O)NC(C)(CN)C2CC2)cc1OC.Cl
InChIInChI=1S/C18H27ClN2O3.ClH/c1-4-5-8-24-16-14(19)9-12(10-15(16)23-3)17(22)21-18(2,11-20)13-6-7-13;/h9-10,13H,4-8,11,20H2,1-3H3,(H,21,22);1H
InChIKeyXFPUQQCTXYQREC-UHFFFAOYSA-N
XLogP3.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119572875
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119575855
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119521982
4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 119357380
N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119597907
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
(4-aminopiperidin-1-yl)-(4-butoxy-3-chloro-5-methoxyphenyl)methanone;hydrochloride
CID 119376097
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513747
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720
N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119420177
N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloro-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119575688

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride (CID 119575203) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride is CCCCOc1c(Cl)cc(C(=O)NC(C)(CN)C2CC2)cc1OC.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride?
The InChIKey is XFPUQQCTXYQREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3.ClH/c1-4-5-8-24-16-14(19)9-12(10-15(16)23-3)17(22)21-18(2,11-20)13-6-7-13;/h9-10,13H,4-8,11,20H2,1-3H3,(H,21,22);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride has a molecular weight of 391.34 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119575203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).