N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide

C23H24N4O3 — CID 166216286

IUPACN-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H24N4O3/c1-14(15-8-10-18(11-9-15)26-22(29)16-6-7-16)25-21(28)13-24-23(30)20-12-17-4-2-3-5-19(17)27-20/h2-5,8-12,14,16,27H,6-7,13H2,1H3,(H,24,30)(H,25,28)(H,26,29)
InChIKeySMEANYDUJCKHRI-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.12
Rot. Bonds7

About N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide

N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide (PubChem CID 166216286) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide
PubChem CID166216286
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H24N4O3/c1-14(15-8-10-18(11-9-15)26-22(29)16-6-7-16)25-21(28)13-24-23(30)20-12-17-4-2-3-5-19(17)27-20/h2-5,8-12,14,16,27H,6-7,13H2,1H3,(H,24,30)(H,25,28)(H,26,29)
InChIKeySMEANYDUJCKHRI-UHFFFAOYSA-N
XLogP3.12
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide (CID 166216286) is N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide is CC(NC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide?
The InChIKey is SMEANYDUJCKHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14(15-8-10-18(11-9-15)26-22(29)16-6-7-16)25-21(28)13-24-23(30)20-12-17-4-2-3-5-19(17)27-20/h2-5,8-12,14,16,27H,6-7,13H2,1H3,(H,24,30)(H,25,28)(H,26,29).
What are the key properties of N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide?
N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.12, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166216286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).