N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide

C23H29N3O4 — CID 90833925

IUPACN-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide
SMILESCC(C)CC(NC(=O)n1ccc(-c2ccccc2)c1)C(=O)NC1(C)C(=O)COC1C
InChIInChI=1S/C23H29N3O4/c1-15(2)12-19(21(28)25-23(4)16(3)30-14-20(23)27)24-22(29)26-11-10-18(13-26)17-8-6-5-7-9-17/h5-11,13,15-16,19H,12,14H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyBTIYHHYBRMFGOR-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.99
Rot. Bonds6

About N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide

N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide (PubChem CID 90833925) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide
PubChem CID90833925
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide
SMILESCC(C)CC(NC(=O)n1ccc(-c2ccccc2)c1)C(=O)NC1(C)C(=O)COC1C
InChIInChI=1S/C23H29N3O4/c1-15(2)12-19(21(28)25-23(4)16(3)30-14-20(23)27)24-22(29)26-11-10-18(13-26)17-8-6-5-7-9-17/h5-11,13,15-16,19H,12,14H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyBTIYHHYBRMFGOR-UHFFFAOYSA-N
XLogP2.99
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide
CID 10202460
N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-3-carboxamide
CID 91034750
N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
CID 10155000
(2S)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]-4-methylpentanamide;sulfane
CID 160769819
4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide
CID 23397444
N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;sulfane
CID 159916584
4-tert-butyl-N-[(2S)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 10182535
[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate
CID 139995995
N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide
CID 90912947
4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide
CID 10133440
(2R)-4-methyl-2-[[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carbonyl]amino]pentanoic acid
CID 68918767
2-amino-N-[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-3-phenylpropanamide
CID 143460384

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide?
The IUPAC name of N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide (CID 90833925) is N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide.
What is the SMILES notation for N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide?
The canonical SMILES for N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide is CC(C)CC(NC(=O)n1ccc(-c2ccccc2)c1)C(=O)NC1(C)C(=O)COC1C.
What is the InChIKey of N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide?
The InChIKey is BTIYHHYBRMFGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-15(2)12-19(21(28)25-23(4)16(3)30-14-20(23)27)24-22(29)26-11-10-18(13-26)17-8-6-5-7-9-17/h5-11,13,15-16,19H,12,14H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide?
N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide is sourced from PubChem (CID 90833925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).