N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide

C15H30N2O2 — CID 65119958

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCCC1CCC(O)(CNC(=O)CCNC(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-4-13-5-8-15(19,9-6-13)11-17-14(18)7-10-16-12(2)3/h12-13,16,19H,4-11H2,1-3H3,(H,17,18)
InChIKeyRTLDUPYLNFDIEG-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.82
Rot. Bonds7

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide (PubChem CID 65119958) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
PubChem CID65119958
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCCC1CCC(O)(CNC(=O)CCNC(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-4-13-5-8-15(19,9-6-13)11-17-14(18)7-10-16-12(2)3/h12-13,16,19H,4-11H2,1-3H3,(H,17,18)
InChIKeyRTLDUPYLNFDIEG-UHFFFAOYSA-N
XLogP1.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-4-oxobutanoic acid
CID 65117218
6-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-methylhexanamide
CID 65119052
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 65120168
3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
CID 65118910
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
2-(cyclopentylamino)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65120006
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65120338
N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 54880970
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide
CID 65118871
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N,N-dimethylpropanamide
CID 65118585
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 65123880

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide (CID 65119958) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide is CCC1CCC(O)(CNC(=O)CCNC(C)C)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is RTLDUPYLNFDIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-13-5-8-15(19,9-6-13)11-17-14(18)7-10-16-12(2)3/h12-13,16,19H,4-11H2,1-3H3,(H,17,18).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 270.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 65119958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).