N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride

C19H30ClN3O4 — CID 119478225

IUPACN-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCC(N)CC2)ccc1OCC(=O)NC(C)C.Cl
InChIInChI=1S/C19H29N3O4.ClH/c1-12(2)21-18(23)11-26-16-9-4-13(10-17(16)25-3)19(24)22-15-7-5-14(20)6-8-15;/h4,9-10,12,14-15H,5-8,11,20H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyZUGMLZWYXMQGJK-UHFFFAOYSA-N
MW399.92 g/mol
LogP2.02
Rot. Bonds7

About N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride

N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride (PubChem CID 119478225) has the molecular formula C19H30ClN3O4 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
PubChem CID119478225
Molecular FormulaC19H30ClN3O4
Molecular Weight399.92 g/mol
Exact Mass399.19
IUPAC NameN-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCC(N)CC2)ccc1OCC(=O)NC(C)C.Cl
InChIInChI=1S/C19H29N3O4.ClH/c1-12(2)21-18(23)11-26-16-9-4-13(10-17(16)25-3)19(24)22-15-7-5-14(20)6-8-15;/h4,9-10,12,14-15H,5-8,11,20H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyZUGMLZWYXMQGJK-UHFFFAOYSA-N
XLogP2.02
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
CID 55786328
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120507137
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651
2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 119380963
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51958121
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide
CID 119558647
3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120832066
4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
CID 119425018

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride (CID 119478225) is N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride is COc1cc(C(=O)NC2CCC(N)CC2)ccc1OCC(=O)NC(C)C.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride?
The InChIKey is ZUGMLZWYXMQGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4.ClH/c1-12(2)21-18(23)11-26-16-9-4-13(10-17(16)25-3)19(24)22-15-7-5-14(20)6-8-15;/h4,9-10,12,14-15H,5-8,11,20H2,1-3H3,(H,21,23)(H,22,24);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride?
N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride is sourced from PubChem (CID 119478225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).