N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide

C17H26N2O3 — CID 42988908

IUPACN-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NC(C)COC
InChIInChI=1S/C17H26N2O3/c1-5-12(2)15(17(21)18-13(3)11-22-4)19-16(20)14-9-7-6-8-10-14/h6-10,12-13,15H,5,11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyDMPTULPVRUEQPN-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.98
Rot. Bonds8

About N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide

N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 42988908) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID42988908
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NC(C)COC
InChIInChI=1S/C17H26N2O3/c1-5-12(2)15(17(21)18-13(3)11-22-4)19-16(20)14-9-7-6-8-10-14/h6-10,12-13,15H,5,11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyDMPTULPVRUEQPN-UHFFFAOYSA-N
XLogP1.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 120507870
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 98641458
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
4-ethoxy-N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 42988135
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613190

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide (CID 42988908) is N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccccc1)C(=O)NC(C)COC.
What is the InChIKey of N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is DMPTULPVRUEQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-12(2)15(17(21)18-13(3)11-22-4)19-16(20)14-9-7-6-8-10-14/h6-10,12-13,15H,5,11H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide?
N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 306.41 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 42988908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).