1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide

C20H28N4O3 — CID 55984604

IUPAC1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)Nc1cccc(CN2CCCC2C(N)=O)c1
InChIInChI=1S/C20H28N4O3/c1-13-10-16(13)20(27)22-8-7-18(25)23-15-5-2-4-14(11-15)12-24-9-3-6-17(24)19(21)26/h2,4-5,11,13,16-17H,3,6-10,12H2,1H3,(H2,21,26)(H,22,27)(H,23,25)
InChIKeyNOLVDJYVJHTHMS-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.24
Rot. Bonds8

About 1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 55984604) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID55984604
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)Nc1cccc(CN2CCCC2C(N)=O)c1
InChIInChI=1S/C20H28N4O3/c1-13-10-16(13)20(27)22-8-7-18(25)23-15-5-2-4-14(11-15)12-24-9-3-6-17(24)19(21)26/h2,4-5,11,13,16-17H,3,6-10,12H2,1H3,(H2,21,26)(H,22,27)(H,23,25)
InChIKeyNOLVDJYVJHTHMS-UHFFFAOYSA-N
XLogP1.24
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

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CID 47042436
1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 131905339
1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984992
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39895698
1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119856251
1-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068938
1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47075956
1-[[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55985756
1-[[3-[(1-phenylcyclobutanecarbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560169
1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 55984604) is 1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide is CC1CC1C(=O)NCCC(=O)Nc1cccc(CN2CCCC2C(N)=O)c1.
What is the InChIKey of 1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is NOLVDJYVJHTHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-13-10-16(13)20(27)22-8-7-18(25)23-15-5-2-4-14(11-15)12-24-9-3-6-17(24)19(21)26/h2,4-5,11,13,16-17H,3,6-10,12H2,1H3,(H2,21,26)(H,22,27)(H,23,25).
What are the key properties of 1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55984604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).