7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide

C23H47N3O3 — CID 170416243

IUPAC7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide
SMILESCC(C)NC(CCCCNC(=O)C(C)C)CC(=O)NCCCCCCOC(C)C
InChIInChI=1S/C23H47N3O3/c1-18(2)23(28)25-15-11-9-13-21(26-19(3)4)17-22(27)24-14-10-7-8-12-16-29-20(5)6/h18-21,26H,7-17H2,1-6H3,(H,24,27)(H,25,28)
InChIKeyGGTRZARTFAHIRU-UHFFFAOYSA-N
MW413.65 g/mol
LogP3.79
Rot. Bonds18

About 7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide

7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide (PubChem CID 170416243) has the molecular formula C23H47N3O3 and a molecular weight of 413.65 g/mol. Its IUPAC name is 7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide.

Molecular Properties

Compound Name7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide
PubChem CID170416243
Molecular FormulaC23H47N3O3
Molecular Weight413.65 g/mol
Exact Mass413.36
IUPAC Name7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide
SMILESCC(C)NC(CCCCNC(=O)C(C)C)CC(=O)NCCCCCCOC(C)C
InChIInChI=1S/C23H47N3O3/c1-18(2)23(28)25-15-11-9-13-21(26-19(3)4)17-22(27)24-14-10-7-8-12-16-29-20(5)6/h18-21,26H,7-17H2,1-6H3,(H,24,27)(H,25,28)
InChIKeyGGTRZARTFAHIRU-UHFFFAOYSA-N
XLogP3.79
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.65
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
3-amino-N-(4-propan-2-yloxybutyl)hexanamide
CID 106011504
3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide
CID 106011222
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide
CID 163940607
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
2-methyl-N-[5-[5-(methylamino)pentoxy]pentyl]propanamide
CID 156794993

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide?
The IUPAC name of 7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide (CID 170416243) is 7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide.
What is the SMILES notation for 7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide?
The canonical SMILES for 7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide is CC(C)NC(CCCCNC(=O)C(C)C)CC(=O)NCCCCCCOC(C)C.
What is the InChIKey of 7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide?
The InChIKey is GGTRZARTFAHIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N3O3/c1-18(2)23(28)25-15-11-9-13-21(26-19(3)4)17-22(27)24-14-10-7-8-12-16-29-20(5)6/h18-21,26H,7-17H2,1-6H3,(H,24,27)(H,25,28).
What are the key properties of 7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide?
7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide has a molecular weight of 413.65 g/mol, XLogP of 3.79, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide is sourced from PubChem (CID 170416243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).