2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide

C19H29N5O3 — CID 118764190

IUPAC2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide
SMILESCc1ccc(NC(=O)NCCC(=O)N2CCCC2)cc1NC(=O)CN(C)C
InChIInChI=1S/C19H29N5O3/c1-14-6-7-15(12-16(14)22-17(25)13-23(2)3)21-19(27)20-9-8-18(26)24-10-4-5-11-24/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,22,25)(H2,20,21,27)
InChIKeyHQBGGFSWTQOXDF-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.63
Rot. Bonds7

About 2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide

2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide (PubChem CID 118764190) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide
PubChem CID118764190
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide
SMILESCc1ccc(NC(=O)NCCC(=O)N2CCCC2)cc1NC(=O)CN(C)C
InChIInChI=1S/C19H29N5O3/c1-14-6-7-15(12-16(14)22-17(25)13-23(2)3)21-19(27)20-9-8-18(26)24-10-4-5-11-24/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,22,25)(H2,20,21,27)
InChIKeyHQBGGFSWTQOXDF-UHFFFAOYSA-N
XLogP1.63
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
CID 131911889
2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide
CID 131890191
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 131938414
(1R,9aR)-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide
CID 131951702
2-(dimethylamino)-N-[3-[[[ethylamino-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methylidene]amino]methyl]phenyl]acetamide
CID 111366259
N-[3-(carbamothioylamino)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169356345
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[4-[2-(diethylamino)ethyl]phenyl]urea
CID 119048990
1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
CID 4569722
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid
CID 154912847
N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841570
N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942043
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide (CID 118764190) is 2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide is Cc1ccc(NC(=O)NCCC(=O)N2CCCC2)cc1NC(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide?
The InChIKey is HQBGGFSWTQOXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-14-6-7-15(12-16(14)22-17(25)13-23(2)3)21-19(27)20-9-8-18(26)24-10-4-5-11-24/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,22,25)(H2,20,21,27).
What are the key properties of 2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide?
2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 118764190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).