3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide

C18H18N4O2 — CID 26245340

IUPAC3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H18N4O2/c19-18(24)22-14-5-3-4-12(10-14)17(23)20-9-8-13-11-21-16-7-2-1-6-15(13)16/h1-7,10-11,21H,8-9H2,(H,20,23)(H3,19,22,24)
InChIKeyIQLSVDGMADXMQD-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.63
Rot. Bonds5

About 3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide

3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 26245340) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID26245340
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H18N4O2/c19-18(24)22-14-5-3-4-12(10-14)17(23)20-9-8-13-11-21-16-7-2-1-6-15(13)16/h1-7,10-11,21H,8-9H2,(H,20,23)(H3,19,22,24)
InChIKeyIQLSVDGMADXMQD-UHFFFAOYSA-N
XLogP2.63
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055667
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
(2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 31941052
3-(2-amino-2-oxoethoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 35559463
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 9474305
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050911
3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 82179549
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 26245340) is 3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide is NC(=O)Nc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is IQLSVDGMADXMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-18(24)22-14-5-3-4-12(10-14)17(23)20-9-8-13-11-21-16-7-2-1-6-15(13)16/h1-7,10-11,21H,8-9H2,(H,20,23)(H3,19,22,24).
What are the key properties of 3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 26245340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).