N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide

C17H35N3O — CID 65240571

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)NCCN(C(C)C)C(C)C)CCCCC1
InChIInChI=1S/C17H35N3O/c1-14(2)20(15(3)4)12-11-19-16(21)13-17(18-5)9-7-6-8-10-17/h14-15,18H,6-13H2,1-5H3,(H,19,21)
InChIKeyYDNGXEIONVJHAY-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.53
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 65240571) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID65240571
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)NCCN(C(C)C)C(C)C)CCCCC1
InChIInChI=1S/C17H35N3O/c1-14(2)20(15(3)4)12-11-19-16(21)13-17(18-5)9-7-6-8-10-17/h14-15,18H,6-13H2,1-5H3,(H,19,21)
InChIKeyYDNGXEIONVJHAY-UHFFFAOYSA-N
XLogP2.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242364
3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 65242262
N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240439
N-[(2R)-2-hydroxypropyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107220990
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
N-hexyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242387
4-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]butanoic acid
CID 65242309
2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide
CID 115519309
N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 66090208
2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 111464650
N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240859
2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide
CID 114617178

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide (CID 65240571) is N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)NCCN(C(C)C)C(C)C)CCCCC1.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is YDNGXEIONVJHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-14(2)20(15(3)4)12-11-19-16(21)13-17(18-5)9-7-6-8-10-17/h14-15,18H,6-13H2,1-5H3,(H,19,21).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 297.49 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 65240571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).