N-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide

C24H47N3O2 — CID 15987922

IUPACN-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NC(C(=O)NCCN(CC(C)C)CC(C)C)C(C)C)CC1
InChIInChI=1S/C24H47N3O2/c1-8-20-9-11-21(12-10-20)23(28)26-22(19(6)7)24(29)25-13-14-27(15-17(2)3)16-18(4)5/h17-22H,8-16H2,1-7H3,(H,25,29)(H,26,28)
InChIKeyGNXHFHYUTUTLIQ-UHFFFAOYSA-N
MW409.66 g/mol
LogP4.07
Rot. Bonds12

About N-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide

N-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide (PubChem CID 15987922) has the molecular formula C24H47N3O2 and a molecular weight of 409.66 g/mol. Its IUPAC name is N-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide
PubChem CID15987922
Molecular FormulaC24H47N3O2
Molecular Weight409.66 g/mol
Exact Mass409.37
IUPAC NameN-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NC(C(=O)NCCN(CC(C)C)CC(C)C)C(C)C)CC1
InChIInChI=1S/C24H47N3O2/c1-8-20-9-11-21(12-10-20)23(28)26-22(19(6)7)24(29)25-13-14-27(15-17(2)3)16-18(4)5/h17-22H,8-16H2,1-7H3,(H,25,29)(H,26,28)
InChIKeyGNXHFHYUTUTLIQ-UHFFFAOYSA-N
XLogP4.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.66
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide (CID 15987922) is N-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide is CCC1CCC(C(=O)NC(C(=O)NCCN(CC(C)C)CC(C)C)C(C)C)CC1.
What is the InChIKey of N-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide?
The InChIKey is GNXHFHYUTUTLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3O2/c1-8-20-9-11-21(12-10-20)23(28)26-22(19(6)7)24(29)25-13-14-27(15-17(2)3)16-18(4)5/h17-22H,8-16H2,1-7H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide?
N-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide has a molecular weight of 409.66 g/mol, XLogP of 4.07, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[bis(2-methylpropyl)amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 15987922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).