N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide

C18H30N4O2 — CID 72922112

IUPACN-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cccn2C(C)C)CN1C
InChIInChI=1S/C18H30N4O2/c1-6-21(7-2)18(24)16-11-14(12-20(16)5)19-17(23)15-9-8-10-22(15)13(3)4/h8-10,13-14,16H,6-7,11-12H2,1-5H3,(H,19,23)/t14-,16-/m0/s1
InChIKeyCJSZOQLJHDPMMY-HOCLYGCPSA-N
MW334.46 g/mol
LogP1.74
Rot. Bonds6

About N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide

N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 72922112) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID72922112
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cccn2C(C)C)CN1C
InChIInChI=1S/C18H30N4O2/c1-6-21(7-2)18(24)16-11-14(12-20(16)5)19-17(23)15-9-8-10-22(15)13(3)4/h8-10,13-14,16H,6-7,11-12H2,1-5H3,(H,19,23)/t14-,16-/m0/s1
InChIKeyCJSZOQLJHDPMMY-HOCLYGCPSA-N
XLogP1.74
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide (CID 72922112) is N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cccn2C(C)C)CN1C.
What is the InChIKey of N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is CJSZOQLJHDPMMY-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-6-21(7-2)18(24)16-11-14(12-20(16)5)19-17(23)15-9-8-10-22(15)13(3)4/h8-10,13-14,16H,6-7,11-12H2,1-5H3,(H,19,23)/t14-,16-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide?
N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 72922112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).