1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride

C18H25ClN4O2 — CID 119312294

IUPAC1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCNC(=O)Cn1ccc2ccc(NC(=O)C3(N)CCCCC3)cc21.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-20-16(23)12-22-10-7-13-5-6-14(11-15(13)22)21-17(24)18(19)8-3-2-4-9-18;/h5-7,10-11H,2-4,8-9,12,19H2,1H3,(H,20,23)(H,21,24);1H
InChIKeyHEXWFSGRAJBLQV-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.41
Rot. Bonds4

About 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119312294) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119312294
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCNC(=O)Cn1ccc2ccc(NC(=O)C3(N)CCCCC3)cc21.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-20-16(23)12-22-10-7-13-5-6-14(11-15(13)22)21-17(24)18(19)8-3-2-4-9-18;/h5-7,10-11H,2-4,8-9,12,19H2,1H3,(H,20,23)(H,21,24);1H
InChIKeyHEXWFSGRAJBLQV-UHFFFAOYSA-N
XLogP2.41
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265
N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopropanecarboxamide
CID 155948618
1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide
CID 119891229
3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119764171
2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
CID 119764196
(2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
CID 119764210
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide
CID 119764130
2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide
CID 119764204
1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
CID 75495671
(1R,2S,4S)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98208111
(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]-4-methylsulfanylbutanamide
CID 119312283
1-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870422

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119312294) is 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride is CNC(=O)Cn1ccc2ccc(NC(=O)C3(N)CCCCC3)cc21.Cl.
What is the InChIKey of 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is HEXWFSGRAJBLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-20-16(23)12-22-10-7-13-5-6-14(11-15(13)22)21-17(24)18(19)8-3-2-4-9-18;/h5-7,10-11H,2-4,8-9,12,19H2,1H3,(H,20,23)(H,21,24);1H.
What are the key properties of 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119312294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).