2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate

C15H26N2O3 — CID 101187737

IUPAC2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-11(2)14(18)20-10-9-16-15(19)17-12(3)13-7-5-4-6-8-13/h12-13H,1,4-10H2,2-3H3,(H2,16,17,19)/t12-/m0/s1
InChIKeyDJIGMYQTODNBIT-LBPRGKRZSA-N
MW282.38 g/mol
LogP2.37
Rot. Bonds6

About 2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate

2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 101187737) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID101187737
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-11(2)14(18)20-10-9-16-15(19)17-12(3)13-7-5-4-6-8-13/h12-13H,1,4-10H2,2-3H3,(H2,16,17,19)/t12-/m0/s1
InChIKeyDJIGMYQTODNBIT-LBPRGKRZSA-N
XLogP2.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-cyclopropylethylcarbamoylamino)ethoxy]acetic acid
CID 79463822
3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide
CID 97218985
2-(2-methoxypropanoylamino)ethyl 2-methylprop-2-enoate
CID 89184726
2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118257882
2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 166799947
2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate
CID 81392829
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
2-(1-naphthalen-1-ylethylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 102245385
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 101255045
2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 158258560

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate (CID 101187737) is 2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)N[C@@H](C)C1CCCCC1.
What is the InChIKey of 2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is DJIGMYQTODNBIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)14(18)20-10-9-16-15(19)17-12(3)13-7-5-4-6-8-13/h12-13H,1,4-10H2,2-3H3,(H2,16,17,19)/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 282.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 101187737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).