N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide

C24H40N4O — CID 142816775

IUPACN',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide
SMILESC=C(C)NC(=O)c1cn(C)c2ccccc12.CCCCN(CCCC)CCCN
InChIInChI=1S/C13H14N2O.C11H26N2/c1-9(2)14-13(16)11-8-15(3)12-7-5-4-6-10(11)12;1-3-5-9-13(10-6-4-2)11-7-8-12/h4-8H,1H2,2-3H3,(H,14,16);3-12H2,1-2H3
InChIKeyUFHUOIPKDARORP-UHFFFAOYSA-N
MW400.61 g/mol
LogP4.68
Rot. Bonds11

About N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide

N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide (PubChem CID 142816775) has the molecular formula C24H40N4O and a molecular weight of 400.61 g/mol. Its IUPAC name is N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide
PubChem CID142816775
Molecular FormulaC24H40N4O
Molecular Weight400.61 g/mol
Exact Mass400.32
IUPAC NameN',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide
SMILESC=C(C)NC(=O)c1cn(C)c2ccccc12.CCCCN(CCCC)CCCN
InChIInChI=1S/C13H14N2O.C11H26N2/c1-9(2)14-13(16)11-8-15(3)12-7-5-4-6-10(11)12;1-3-5-9-13(10-6-4-2)11-7-8-12/h4-8H,1H2,2-3H3,(H,14,16);3-12H2,1-2H3
InChIKeyUFHUOIPKDARORP-UHFFFAOYSA-N
XLogP4.68
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 44596466
hexyl 1-methylindole-3-carboxylate
CID 135057842
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
1-[(1-methylindole-3-carbonyl)amino]-3-pentylthiourea
CID 9187866
N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
CID 115271613
ethyl 3-(1-methylindol-3-yl)-3-oxo-2-phenylpropanoate
CID 132558109
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
CID 107845947

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide?
The IUPAC name of N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide (CID 142816775) is N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide.
What is the SMILES notation for N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide?
The canonical SMILES for N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide is C=C(C)NC(=O)c1cn(C)c2ccccc12.CCCCN(CCCC)CCCN.
What is the InChIKey of N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide?
The InChIKey is UFHUOIPKDARORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.C11H26N2/c1-9(2)14-13(16)11-8-15(3)12-7-5-4-6-10(11)12;1-3-5-9-13(10-6-4-2)11-7-8-12/h4-8H,1H2,2-3H3,(H,14,16);3-12H2,1-2H3.
What are the key properties of N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide?
N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide has a molecular weight of 400.61 g/mol, XLogP of 4.68, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide is sourced from PubChem (CID 142816775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).