N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C20H33N3O2 — CID 119667424

IUPACN-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCCCCC(CN)NC(=O)C(CC(C)C)NC(=O)c1ccccc1C
InChIInChI=1S/C20H33N3O2/c1-5-6-10-16(13-21)22-20(25)18(12-14(2)3)23-19(24)17-11-8-7-9-15(17)4/h7-9,11,14,16,18H,5-6,10,12-13,21H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyOJGGQLNJKTXDIK-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.77
Rot. Bonds10

About N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 119667424) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID119667424
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCCCCC(CN)NC(=O)C(CC(C)C)NC(=O)c1ccccc1C
InChIInChI=1S/C20H33N3O2/c1-5-6-10-16(13-21)22-20(25)18(12-14(2)3)23-19(24)17-11-8-7-9-15(17)4/h7-9,11,14,16,18H,5-6,10,12-13,21H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyOJGGQLNJKTXDIK-UHFFFAOYSA-N
XLogP2.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-heptadecan-9-yl-2-methylbenzamide
CID 3929540
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide
CID 80697183
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
N-[1-(3-ethoxypropylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78785278
N-(1-aminohexan-2-yl)-3-methyl-2-nitrobenzamide
CID 80696935
N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
CID 119665949
N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride
CID 119667537
2-methyl-N-[(2R)-4-methyl-1-oxo-1-(2-phenylsulfanylethylamino)pentan-2-yl]benzamide
CID 9482953

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 119667424) is N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is CCCCC(CN)NC(=O)C(CC(C)C)NC(=O)c1ccccc1C.
What is the InChIKey of N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is OJGGQLNJKTXDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-5-6-10-16(13-21)22-20(25)18(12-14(2)3)23-19(24)17-11-8-7-9-15(17)4/h7-9,11,14,16,18H,5-6,10,12-13,21H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 347.50 g/mol, XLogP of 2.77, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 119667424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).