N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide

C17H33N3O3 — CID 171836170

IUPACN-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide
SMILESCCCCCCC(=O)N(C)C(CC(C)=O)C(=O)NCCCNC
InChIInChI=1S/C17H33N3O3/c1-5-6-7-8-10-16(22)20(4)15(13-14(2)21)17(23)19-12-9-11-18-3/h15,18H,5-13H2,1-4H3,(H,19,23)
InChIKeyQEQDZHFTZAADCN-UHFFFAOYSA-N
MW327.47 g/mol
LogP1.49
Rot. Bonds13

About N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide

N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide (PubChem CID 171836170) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide.

Molecular Properties

Compound NameN-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide
PubChem CID171836170
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC NameN-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide
SMILESCCCCCCC(=O)N(C)C(CC(C)=O)C(=O)NCCCNC
InChIInChI=1S/C17H33N3O3/c1-5-6-7-8-10-16(22)20(4)15(13-14(2)21)17(23)19-12-9-11-18-3/h15,18H,5-13H2,1-4H3,(H,19,23)
InChIKeyQEQDZHFTZAADCN-UHFFFAOYSA-N
XLogP1.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide
CID 159896807
4-[2-(methylamino)ethylamino]-3-[methyl(6-sulfanylhexanoyl)amino]-4-oxobutanoic acid
CID 123487806
6-(2,4-dioxocyclopentyl)sulfanyl-N-methyl-N-[1-[2-(methylamino)ethylamino]-1,4-dioxopentan-2-yl]hexanamide
CID 67989749
2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane
CID 145117042
6-[2,5-dioxo-1-[tris[3-[6-[methyl-[(2S)-1-[2-(methylamino)ethylamino]-1,4-dioxopentan-2-yl]amino]-6-oxohexyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]pyrrolidin-3-yl]sulfanyl-N-methyl-N-[(2S)-1-[2-(methylamino)ethylamino]-1,4-dioxopentan-2-yl]hexanamide
CID 160713514
N-methyl-N-[2-(methylamino)ethyl]decanamide
CID 65449488
N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine
CID 161259059
2-[methyl(tetradecanoyl)amino]pentanoic acid
CID 175341012
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
trimethyl-[2-[[4-methyl-2-[methyl(6-sulfanylhexanoyl)amino]pent-4-enoyl]amino]ethyl]azanium
CID 153363417
(3S)-N-methyl-7-(methylamino)-3-[methyl(6-sulfanylhexanoyl)amino]-4-oxoheptanamide
CID 158653992
(2S)-4-methyl-2-[methyl(octanoyl)amino]pentanoic acid
CID 10945558

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide?
The IUPAC name of N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide (CID 171836170) is N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide.
What is the SMILES notation for N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide?
The canonical SMILES for N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide is CCCCCCC(=O)N(C)C(CC(C)=O)C(=O)NCCCNC.
What is the InChIKey of N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide?
The InChIKey is QEQDZHFTZAADCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-5-6-7-8-10-16(22)20(4)15(13-14(2)21)17(23)19-12-9-11-18-3/h15,18H,5-13H2,1-4H3,(H,19,23).
What are the key properties of N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide?
N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide has a molecular weight of 327.47 g/mol, XLogP of 1.49, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide is sourced from PubChem (CID 171836170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).