N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide

C14H20N2O3 — CID 43391483

IUPACN-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
SMILESCC(C)(CO)NC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,10-17)16-12(18)8-9-15-13(19)11-6-4-3-5-7-11/h3-7,17H,8-10H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyFXYAZMYDOJDTOK-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.69
Rot. Bonds6

About N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide

N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide (PubChem CID 43391483) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
PubChem CID43391483
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
SMILESCC(C)(CO)NC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,10-17)16-12(18)8-9-15-13(19)11-6-4-3-5-7-11/h3-7,17H,8-10H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyFXYAZMYDOJDTOK-UHFFFAOYSA-N
XLogP0.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 110878328
N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide
CID 66169997
2-(3-benzamidopropanoylamino)-2-methylbutanoic acid
CID 79789289
4-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methylpentanoic acid
CID 119357141
N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide
CID 110000733
4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid
CID 119357551
N-[2-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 115869842
tert-butyl N-[3-(3-benzamidopropylamino)-3-oxopropyl]carbamate
CID 108921630
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide (CID 43391483) is N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide is CC(C)(CO)NC(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is FXYAZMYDOJDTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,10-17)16-12(18)8-9-15-13(19)11-6-4-3-5-7-11/h3-7,17H,8-10H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide?
N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 43391483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).