2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide

C19H37N3O5 — CID 90146010

IUPAC2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide
SMILESC=C(C)C(=O)NCCC.C=CC(=O)OCCOC(=O)NCCCC.CNC
InChIInChI=1S/C10H17NO4.C7H13NO.C2H7N/c1-3-5-6-11-10(13)15-8-7-14-9(12)4-2;1-4-5-8-7(9)6(2)3;1-3-2/h4H,2-3,5-8H2,1H3,(H,11,13);2,4-5H2,1,3H3,(H,8,9);3H,1-2H3
InChIKeyJZEMGRIHSZGTCM-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.17
Rot. Bonds10

About 2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide

2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide (PubChem CID 90146010) has the molecular formula C19H37N3O5 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide.

Molecular Properties

Compound Name2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide
PubChem CID90146010
Molecular FormulaC19H37N3O5
Molecular Weight387.52 g/mol
Exact Mass387.27
IUPAC Name2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide
SMILESC=C(C)C(=O)NCCC.C=CC(=O)OCCOC(=O)NCCCC.CNC
InChIInChI=1S/C10H17NO4.C7H13NO.C2H7N/c1-3-5-6-11-10(13)15-8-7-14-9(12)4-2;1-4-5-8-7(9)6(2)3;1-3-2/h4H,2-3,5-8H2,1H3,(H,11,13);2,4-5H2,1,3H3,(H,8,9);3H,1-2H3
InChIKeyJZEMGRIHSZGTCM-UHFFFAOYSA-N
XLogP2.17
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate
CID 144569647
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate
CID 140879603
2-(3-prop-2-enoyloxypropylcarbamoyloxy)ethyl 2-methylbutanoate
CID 167317155
2-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
5-(ethoxycarbonylamino)pentyl prop-2-enoate
CID 118485730

Frequently Asked Questions

What is the IUPAC name of 2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide?
The IUPAC name of 2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide (CID 90146010) is 2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide.
What is the SMILES notation for 2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide?
The canonical SMILES for 2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide is C=C(C)C(=O)NCCC.C=CC(=O)OCCOC(=O)NCCCC.CNC.
What is the InChIKey of 2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide?
The InChIKey is JZEMGRIHSZGTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4.C7H13NO.C2H7N/c1-3-5-6-11-10(13)15-8-7-14-9(12)4-2;1-4-5-8-7(9)6(2)3;1-3-2/h4H,2-3,5-8H2,1H3,(H,11,13);2,4-5H2,1,3H3,(H,8,9);3H,1-2H3.
What are the key properties of 2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide?
2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide has a molecular weight of 387.52 g/mol, XLogP of 2.17, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide is sourced from PubChem (CID 90146010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).