N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide

C17H23N3O2 — CID 119477045

IUPACN-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
SMILESNC1CCC(NC(=O)c2cccc(NC(=O)C3CC3)c2)CC1
InChIInChI=1S/C17H23N3O2/c18-13-6-8-14(9-7-13)19-17(22)12-2-1-3-15(10-12)20-16(21)11-4-5-11/h1-3,10-11,13-14H,4-9,18H2,(H,19,22)(H,20,21)
InChIKeyIEHXGABZVDFUAJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.03
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide

N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide (PubChem CID 119477045) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
PubChem CID119477045
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
SMILESNC1CCC(NC(=O)c2cccc(NC(=O)C3CC3)c2)CC1
InChIInChI=1S/C17H23N3O2/c18-13-6-8-14(9-7-13)19-17(22)12-2-1-3-15(10-12)20-16(21)11-4-5-11/h1-3,10-11,13-14H,4-9,18H2,(H,19,22)(H,20,21)
InChIKeyIEHXGABZVDFUAJ-UHFFFAOYSA-N
XLogP2.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119478775
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120631994
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119384006
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide (CID 119477045) is N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide is NC1CCC(NC(=O)c2cccc(NC(=O)C3CC3)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide?
The InChIKey is IEHXGABZVDFUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-13-6-8-14(9-7-13)19-17(22)12-2-1-3-15(10-12)20-16(21)11-4-5-11/h1-3,10-11,13-14H,4-9,18H2,(H,19,22)(H,20,21).
What are the key properties of N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide?
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 119477045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).