4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide

C17H26N2O3 — CID 95972620

IUPAC4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide
SMILESCC(C)CC[C@H](C)NC(=O)CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H26N2O3/c1-12(2)4-5-13(3)19-16(20)10-11-22-15-8-6-14(7-9-15)17(18)21/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,18,21)(H,19,20)/t13-/m0/s1
InChIKeyQFBLGZRZKBNQNX-ZDUSSCGKSA-N
MW306.41 g/mol
LogP2.50
Rot. Bonds9

About 4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide

4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide (PubChem CID 95972620) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide
PubChem CID95972620
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide
SMILESCC(C)CC[C@H](C)NC(=O)CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H26N2O3/c1-12(2)4-5-13(3)19-16(20)10-11-22-15-8-6-14(7-9-15)17(18)21/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,18,21)(H,19,20)/t13-/m0/s1
InChIKeyQFBLGZRZKBNQNX-ZDUSSCGKSA-N
XLogP2.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-carbamoylphenoxy)propanoate
CID 28879864
4-[4-(6-methylheptoxy)phenyl]benzamide
CID 58276365
3-(4-aminophenoxy)-N-hexan-2-ylpropanamide
CID 62197862
N-(1-aminopropan-2-yl)-3-(4-propan-2-ylphenoxy)propanamide
CID 110834337
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
CID 43427807
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 119590176
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
N-(1-bromopropan-2-yl)-3-phenoxypropanamide
CID 114310403
4-(4-methylpentoxy)benzoic acid
CID 22645282

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide?
The IUPAC name of 4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide (CID 95972620) is 4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide.
What is the SMILES notation for 4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide?
The canonical SMILES for 4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide is CC(C)CC[C@H](C)NC(=O)CCOc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide?
The InChIKey is QFBLGZRZKBNQNX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)4-5-13(3)19-16(20)10-11-22-15-8-6-14(7-9-15)17(18)21/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,18,21)(H,19,20)/t13-/m0/s1.
What are the key properties of 4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide?
4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide has a molecular weight of 306.41 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide is sourced from PubChem (CID 95972620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).