N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide

C19H26N4O3 — CID 166532637

IUPACN-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)C1
InChIInChI=1S/C19H26N4O3/c1-4-20-19(25)23-10-9-14(11-23)22-18(24)21-13(3)17-12(2)15-7-5-6-8-16(15)26-17/h5-8,13-14H,4,9-11H2,1-3H3,(H,20,25)(H2,21,22,24)/t13-,14?/m0/s1
InChIKeyZSQLXXZBMRYBHP-LSLKUGRBSA-N
MW358.44 g/mol
LogP2.91
Rot. Bonds4

About N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide

N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide (PubChem CID 166532637) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide
PubChem CID166532637
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)C1
InChIInChI=1S/C19H26N4O3/c1-4-20-19(25)23-10-9-14(11-23)22-18(24)21-13(3)17-12(2)15-7-5-6-8-16(15)26-17/h5-8,13-14H,4,9-11H2,1-3H3,(H,20,25)(H2,21,22,24)/t13-,14?/m0/s1
InChIKeyZSQLXXZBMRYBHP-LSLKUGRBSA-N
XLogP2.91
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532114
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 166532520
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 166532014
1-[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 176854087
N-methyl-4-[1-(3-methyl-1-benzofuran-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide
CID 166532094
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532648
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532576
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 166532852
1-(3-methoxycyclobutyl)-3-[1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532954
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(2-methyloxan-4-yl)urea
CID 166533084
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]urea
CID 100844722
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 86880113

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide (CID 166532637) is N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)C1.
What is the InChIKey of N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide?
The InChIKey is ZSQLXXZBMRYBHP-LSLKUGRBSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-20-19(25)23-10-9-14(11-23)22-18(24)21-13(3)17-12(2)15-7-5-6-8-16(15)26-17/h5-8,13-14H,4,9-11H2,1-3H3,(H,20,25)(H2,21,22,24)/t13-,14?/m0/s1.
What are the key properties of N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide?
N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 166532637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).