N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide

C19H27N3O — CID 163192742

IUPACN,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCN(C)C1Cc2cccc3[nH]cc(c23)C1
InChIInChI=1S/C19H27N3O/c1-4-22(5-2)18(23)9-10-21(3)16-11-14-7-6-8-17-19(14)15(12-16)13-20-17/h6-8,13,16,20H,4-5,9-12H2,1-3H3
InChIKeyJECGWOMOCPQHDH-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.83
Rot. Bonds6

About N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide

N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide (PubChem CID 163192742) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide
PubChem CID163192742
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCN(C)C1Cc2cccc3[nH]cc(c23)C1
InChIInChI=1S/C19H27N3O/c1-4-22(5-2)18(23)9-10-21(3)16-11-14-7-6-8-17-19(14)15(12-16)13-20-17/h6-8,13,16,20H,4-5,9-12H2,1-3H3
InChIKeyJECGWOMOCPQHDH-UHFFFAOYSA-N
XLogP2.83
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
CID 21460821
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid
CID 23358101
(4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol
CID 124707804
2-[(6aR)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N,N-diethylacetamide
CID 159746240
(6aR,9S)-N,N-diethyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 12917894
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;N,N-dimethylhexadecan-1-amine
CID 174946917
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexadecanedioic acid
CID 174864817
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
(6aR)-N,N-diethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 22294663
(6aS,9R)-N-ethyl-N-(2-hydroxyethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166138526
3-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 57130390
(E)-but-2-enedioic acid;4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-ol
CID 19828708

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide (CID 163192742) is N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide is CCN(CC)C(=O)CCN(C)C1Cc2cccc3[nH]cc(c23)C1.
What is the InChIKey of N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide?
The InChIKey is JECGWOMOCPQHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-22(5-2)18(23)9-10-21(3)16-11-14-7-6-8-17-19(14)15(12-16)13-20-17/h6-8,13,16,20H,4-5,9-12H2,1-3H3.
What are the key properties of N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide?
N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide has a molecular weight of 313.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide is sourced from PubChem (CID 163192742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).