N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide

C19H31N4O2P — CID 3468790

IUPACN-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide
SMILESCCN(CC)P(=O)(NC(=O)c1cn(CC)c2ccccc12)N(CC)CC
InChIInChI=1S/C19H31N4O2P/c1-6-21-15-17(16-13-11-12-14-18(16)21)19(24)20-26(25,22(7-2)8-3)23(9-4)10-5/h11-15H,6-10H2,1-5H3,(H,20,24,25)
InChIKeyXTJKLADFAIVNNS-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.18
Rot. Bonds9

About N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide

N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide (PubChem CID 3468790) has the molecular formula C19H31N4O2P and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide.

Molecular Properties

Compound NameN-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide
PubChem CID3468790
Molecular FormulaC19H31N4O2P
Molecular Weight378.46 g/mol
Exact Mass378.22
IUPAC NameN-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide
SMILESCCN(CC)P(=O)(NC(=O)c1cn(CC)c2ccccc12)N(CC)CC
InChIInChI=1S/C19H31N4O2P/c1-6-21-15-17(16-13-11-12-14-18(16)21)19(24)20-26(25,22(7-2)8-3)23(9-4)10-5/h11-15H,6-10H2,1-5H3,(H,20,24,25)
InChIKeyXTJKLADFAIVNNS-UHFFFAOYSA-N
XLogP4.18
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide
CID 67785662
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757
acetic acid;1-ethylindol-3-ol
CID 71405602
1,1-diethyl-3-(1-ethylindol-3-yl)urea
CID 40519589
(Z)-4-(1-ethylindol-3-yl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
CID 139168536
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 4248907
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30131932
3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea
CID 40519593
1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone
CID 21380759
1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid
CID 43309799
2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380764

Frequently Asked Questions

What is the IUPAC name of N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide?
The IUPAC name of N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide (CID 3468790) is N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide.
What is the SMILES notation for N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide?
The canonical SMILES for N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide is CCN(CC)P(=O)(NC(=O)c1cn(CC)c2ccccc12)N(CC)CC.
What is the InChIKey of N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide?
The InChIKey is XTJKLADFAIVNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N4O2P/c1-6-21-15-17(16-13-11-12-14-18(16)21)19(24)20-26(25,22(7-2)8-3)23(9-4)10-5/h11-15H,6-10H2,1-5H3,(H,20,24,25).
What are the key properties of N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide?
N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide is sourced from PubChem (CID 3468790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).