2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide

C18H39N5O2 — CID 171621363

IUPAC2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide
SMILESCNCCC(=O)NC(CCCCNC(C)C)C(=O)NCCNC(C)C
InChIInChI=1S/C18H39N5O2/c1-14(2)20-10-7-6-8-16(23-17(24)9-11-19-5)18(25)22-13-12-21-15(3)4/h14-16,19-21H,6-13H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyDEYVKCDEXURORV-UHFFFAOYSA-N
MW357.54 g/mol
LogP0.36
Rot. Bonds15

About 2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide

2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide (PubChem CID 171621363) has the molecular formula C18H39N5O2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide.

Molecular Properties

Compound Name2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide
PubChem CID171621363
Molecular FormulaC18H39N5O2
Molecular Weight357.54 g/mol
Exact Mass357.31
IUPAC Name2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide
SMILESCNCCC(=O)NC(CCCCNC(C)C)C(=O)NCCNC(C)C
InChIInChI=1S/C18H39N5O2/c1-14(2)20-10-7-6-8-16(23-17(24)9-11-19-5)18(25)22-13-12-21-15(3)4/h14-16,19-21H,6-13H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyDEYVKCDEXURORV-UHFFFAOYSA-N
XLogP0.36
TPSA94.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 50.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-5-(diaminomethylideneamino)-N-(5-methylhexyl)-2-[3-(propan-2-ylamino)propanoylamino]pentanamide
CID 171639863
N-[5-[2,6-bis(6-methylheptanoylamino)hexanoylamino]-7-methyl-6-oxooctyl]-6-methylheptanamide;6-methyl-N-[5-(6-methylheptanoylamino)-6-[[2-methyl-3-oxo-8-(propan-2-ylamino)octan-4-yl]amino]-6-oxohexyl]heptanamide
CID 165066016
N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide
CID 88975780
N-methyl-N'-[(5S)-5-[[6-(methylamino)-6-oxohexanoyl]amino]-6-oxo-6-[[6-oxo-6-(propan-2-ylamino)hexyl]amino]hexyl]hexanediamide
CID 118013521
5-methyl-N-[(4S)-2-methyl-3-oxo-8-(propan-2-ylamino)octan-4-yl]-4-oxohexanamide
CID 177095418
ethane;6-methyl-N-[2-(methylamino)ethyl]-2-[(6-methyl-5-oxoheptanoyl)amino]-5-oxoheptanamide
CID 171621342
8-methyl-N-[7-oxo-7-[[1-oxo-1,7-bis(propan-2-ylamino)heptan-2-yl]amino]-6-(propan-2-ylamino)heptyl]nonanamide
CID 165380224
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide
CID 169244537
N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-3-(propan-2-ylamino)propanamide
CID 156560378
(2S)-N-[(5S)-5-[[(2S)-2,6-bis(methylamino)hexanoyl]amino]-6-[[3-(ethylamino)-3-oxopropyl]amino]-6-oxohexyl]-2,6-bis(methylamino)hexanamide
CID 89221767
ethane;(2S)-N-(4-methylpentyl)-2-[4-(4-methylphenyl)butanoylamino]-5-(propan-2-ylamino)pentanamide;2-[4-(4-methylphenyl)butanoylamino]-N-pentyl-5-(propan-2-ylamino)pentanamide
CID 171639733

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide?
The IUPAC name of 2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide (CID 171621363) is 2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide.
What is the SMILES notation for 2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide?
The canonical SMILES for 2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide is CNCCC(=O)NC(CCCCNC(C)C)C(=O)NCCNC(C)C.
What is the InChIKey of 2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide?
The InChIKey is DEYVKCDEXURORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N5O2/c1-14(2)20-10-7-6-8-16(23-17(24)9-11-19-5)18(25)22-13-12-21-15(3)4/h14-16,19-21H,6-13H2,1-5H3,(H,22,25)(H,23,24).
What are the key properties of 2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide?
2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide has a molecular weight of 357.54 g/mol, XLogP of 0.36, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide is sourced from PubChem (CID 171621363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).