2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide

C19H26N4O4 — CID 170416827

IUPAC2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide
SMILESC/N=C(\C(=O)NC1(CO)CCNC1=O)c1cc(OCC2CCC2)ccc1N
InChIInChI=1S/C19H26N4O4/c1-21-16(17(25)23-19(11-24)7-8-22-18(19)26)14-9-13(5-6-15(14)20)27-10-12-3-2-4-12/h5-6,9,12,24H,2-4,7-8,10-11,20H2,1H3,(H,22,26)(H,23,25)/b21-16-
InChIKeyIRSYKLHZJZUXFT-PGMHBOJBSA-N
MW374.44 g/mol
LogP0.23
Rot. Bonds7

About 2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide

2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide (PubChem CID 170416827) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide.

Molecular Properties

Compound Name2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide
PubChem CID170416827
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide
SMILESC/N=C(\C(=O)NC1(CO)CCNC1=O)c1cc(OCC2CCC2)ccc1N
InChIInChI=1S/C19H26N4O4/c1-21-16(17(25)23-19(11-24)7-8-22-18(19)26)14-9-13(5-6-15(14)20)27-10-12-3-2-4-12/h5-6,9,12,24H,2-4,7-8,10-11,20H2,1H3,(H,22,26)(H,23,25)/b21-16-
InChIKeyIRSYKLHZJZUXFT-PGMHBOJBSA-N
XLogP0.23
TPSA126.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide
CID 170418064
(2R)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide
CID 170418061
2-[2-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyliminoacetamide
CID 170417941
2-amino-5-(cyclopropylmethoxy)benzamide
CID 61305267
4-(cyclopentylmethoxy)-2-methylaniline
CID 26190241
2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide
CID 170418557
2-(2-amino-5-phenylmethoxyphenyl)-N-[(3R)-4,4-difluoropyrrolidin-3-yl]-2-methyliminoacetamide
CID 170602908
2-amino-5-(2-cyclobutylethoxy)benzoic acid
CID 106203443
1-[2-amino-5-(oxan-4-ylmethoxy)phenyl]ethanone
CID 104613309
2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide
CID 170416750
4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490
2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide
CID 170602626

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide?
The IUPAC name of 2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide (CID 170416827) is 2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide.
What is the SMILES notation for 2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide?
The canonical SMILES for 2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide is C/N=C(\C(=O)NC1(CO)CCNC1=O)c1cc(OCC2CCC2)ccc1N.
What is the InChIKey of 2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide?
The InChIKey is IRSYKLHZJZUXFT-PGMHBOJBSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-21-16(17(25)23-19(11-24)7-8-22-18(19)26)14-9-13(5-6-15(14)20)27-10-12-3-2-4-12/h5-6,9,12,24H,2-4,7-8,10-11,20H2,1H3,(H,22,26)(H,23,25)/b21-16-.
What are the key properties of 2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide?
2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide has a molecular weight of 374.44 g/mol, XLogP of 0.23, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide is sourced from PubChem (CID 170416827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).