N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide

C19H29N3O2 — CID 54816609

IUPACN-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CNC2CCCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)22-18(24)14-8-7-11-16(12-14)21-17(23)13-20-15-9-5-4-6-10-15/h7-8,11-12,15,20H,4-6,9-10,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyIOQVDHMMIXHOGP-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.08
Rot. Bonds5

About N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide

N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide (PubChem CID 54816609) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
PubChem CID54816609
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CNC2CCCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)22-18(24)14-8-7-11-16(12-14)21-17(23)13-20-15-9-5-4-6-10-15/h7-8,11-12,15,20H,4-6,9-10,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyIOQVDHMMIXHOGP-UHFFFAOYSA-N
XLogP3.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
CID 54816300
methyl 3-[[2-(cyclohexylamino)acetyl]amino]benzoate
CID 1133399
N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
CID 54816415
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54816361
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109055977
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-tert-butyl-3-(cyclohexanecarbonylcarbamothioylamino)benzamide
CID 28639674
N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54828594

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide (CID 54816609) is N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)CNC2CCCCC2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide?
The InChIKey is IOQVDHMMIXHOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,3)22-18(24)14-8-7-11-16(12-14)21-17(23)13-20-15-9-5-4-6-10-15/h7-8,11-12,15,20H,4-6,9-10,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide?
N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide has a molecular weight of 331.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54816609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).