N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide

C24H30N4O3 — CID 86889809

IUPACN,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCC(O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C24H30N4O3/c1-4-27(5-2)23(30)16-28-13-12-19-14-20(10-11-21(19)28)26-24(31)25-15-22(29)18-8-6-17(3)7-9-18/h6-14,22,29H,4-5,15-16H2,1-3H3,(H2,25,26,31)
InChIKeyNANVVFLRRPQCDP-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.67
Rot. Bonds8

About N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide

N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide (PubChem CID 86889809) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
PubChem CID86889809
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCC(O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C24H30N4O3/c1-4-27(5-2)23(30)16-28-13-12-19-14-20(10-11-21(19)28)26-24(31)25-15-22(29)18-8-6-17(3)7-9-18/h6-14,22,29H,4-5,15-16H2,1-3H3,(H2,25,26,31)
InChIKeyNANVVFLRRPQCDP-UHFFFAOYSA-N
XLogP3.67
TPSA86.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079445
2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86900793
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 51134217
2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889821
1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944062
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide
CID 119764130
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide
CID 86874773
2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889777
1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea
CID 124855662
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide
CID 86887844

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide (CID 86889809) is N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide is CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCC(O)c3ccc(C)cc3)ccc21.
What is the InChIKey of N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide?
The InChIKey is NANVVFLRRPQCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-4-27(5-2)23(30)16-28-13-12-19-14-20(10-11-21(19)28)26-24(31)25-15-22(29)18-8-6-17(3)7-9-18/h6-14,22,29H,4-5,15-16H2,1-3H3,(H2,25,26,31).
What are the key properties of N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide?
N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide is sourced from PubChem (CID 86889809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).