ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate

C16H31NO3 — CID 62384132

IUPACethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)(COCC1CCCCC1)NC(C)C
InChIInChI=1S/C16H31NO3/c1-5-20-15(18)16(4,17-13(2)3)12-19-11-14-9-7-6-8-10-14/h13-14,17H,5-12H2,1-4H3
InChIKeyKSMBDLDHLXVSRC-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.90
Rot. Bonds8

About ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate

ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate (PubChem CID 62384132) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
PubChem CID62384132
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nameethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)(COCC1CCCCC1)NC(C)C
InChIInChI=1S/C16H31NO3/c1-5-20-15(18)16(4,17-13(2)3)12-19-11-14-9-7-6-8-10-14/h13-14,17H,5-12H2,1-4H3
InChIKeyKSMBDLDHLXVSRC-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66323112
ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62384314
ethyl 5-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204394
2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide
CID 62382112
3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide
CID 55066159
4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide
CID 66324174
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204438
ethyl 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64705146
3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid
CID 66324387
ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate
CID 102983984
ethyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 79184771
ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate
CID 165466612

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate (CID 62384132) is ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate is CCOC(=O)C(C)(COCC1CCCCC1)NC(C)C.
What is the InChIKey of ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate?
The InChIKey is KSMBDLDHLXVSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-5-20-15(18)16(4,17-13(2)3)12-19-11-14-9-7-6-8-10-14/h13-14,17H,5-12H2,1-4H3.
What are the key properties of ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate?
ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate has a molecular weight of 285.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 62384132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).