4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid

C19H28N2O5 — CID 122077814

IUPAC4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C19H28N2O5/c1-19(2,11-10-17(22)23)21-18(24)20-15-8-3-4-9-16(15)26-13-14-7-5-6-12-25-14/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyGDTXGZIFLUHBFC-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.40
Rot. Bonds8

About 4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid

4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid (PubChem CID 122077814) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid
PubChem CID122077814
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C19H28N2O5/c1-19(2,11-10-17(22)23)21-18(24)20-15-8-3-4-9-16(15)26-13-14-7-5-6-12-25-14/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyGDTXGZIFLUHBFC-UHFFFAOYSA-N
XLogP3.40
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122085443
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
1-(5-methylhexan-2-yl)-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577047
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
4-[(2-butoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122077360
1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577155
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60577378
(2S,5R)-5-(aminomethyl)-N-[2-(oxan-2-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 120789636
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride
CID 119747593

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid (CID 122077814) is 4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1ccccc1OCC1CCCCO1.
What is the InChIKey of 4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid?
The InChIKey is GDTXGZIFLUHBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-19(2,11-10-17(22)23)21-18(24)20-15-8-3-4-9-16(15)26-13-14-7-5-6-12-25-14/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,22,23)(H2,20,21,24).
What are the key properties of 4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid?
4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid has a molecular weight of 364.44 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 122077814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).