2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate

C19H22N2O3 — CID 101255045

IUPAC2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C19H22N2O3/c1-13(2)18(22)24-12-11-20-19(23)21-14(3)16-10-6-8-15-7-4-5-9-17(15)16/h4-10,14H,1,11-12H2,2-3H3,(H2,20,21,23)/t14-/m1/s1
InChIKeyQNOAKIPLYLISCY-CQSZACIVSA-N
MW326.40 g/mol
LogP3.32
Rot. Bonds6

About 2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate

2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 101255045) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID101255045
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C19H22N2O3/c1-13(2)18(22)24-12-11-20-19(23)21-14(3)16-10-6-8-15-7-4-5-9-17(15)16/h4-10,14H,1,11-12H2,2-3H3,(H2,20,21,23)/t14-/m1/s1
InChIKeyQNOAKIPLYLISCY-CQSZACIVSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.32
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-(1-naphthalen-1-ylethylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 102245385
2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 102076658
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-hydroxyethyl N-(1-naphthalen-1-ylethyl)carbamate
CID 79349046
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8724827
butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 125470407
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505
1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833
(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid
CID 14671446
2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide
CID 111330326
9-butan-2-ylcarbazole;2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate
CID 90928958

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate (CID 101255045) is 2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is QNOAKIPLYLISCY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)18(22)24-12-11-20-19(23)21-14(3)16-10-6-8-15-7-4-5-9-17(15)16/h4-10,14H,1,11-12H2,2-3H3,(H2,20,21,23)/t14-/m1/s1.
What are the key properties of 2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 326.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 101255045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).