N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide

C16H26N2O2 — CID 63108482

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide
SMILESCCC(CC)(CO)NC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-16(6-2,11-19)18-15(20)13-9-7-8-10-14(13)17-12(3)4/h7-10,12,17,19H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyUNUDBTZGTJLTIX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.79
Rot. Bonds7

About N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide

N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide (PubChem CID 63108482) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide
PubChem CID63108482
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide
SMILESCCC(CC)(CO)NC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-16(6-2,11-19)18-15(20)13-9-7-8-10-14(13)17-12(3)4/h7-10,12,17,19H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyUNUDBTZGTJLTIX-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-2-(propan-2-ylamino)benzamide
CID 64549729
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide
CID 106257692
2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517955
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide
CID 65313573
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
methyl 2-methyl-2-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63107970
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide
CID 62519943
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dimethylbenzamide
CID 113346912
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
CID 106177055
2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 115540629

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide (CID 63108482) is N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide is CCC(CC)(CO)NC(=O)c1ccccc1NC(C)C.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide?
The InChIKey is UNUDBTZGTJLTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-16(6-2,11-19)18-15(20)13-9-7-8-10-14(13)17-12(3)4/h7-10,12,17,19H,5-6,11H2,1-4H3,(H,18,20).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide has a molecular weight of 278.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 63108482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).