3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate

C15H26N2O4 — CID 139977048

IUPAC3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN(CCCCNC(C)=O)C(C)=O
InChIInChI=1S/C15H26N2O4/c1-12(2)15(20)21-11-7-10-17(14(4)19)9-6-5-8-16-13(3)18/h1,5-11H2,2-4H3,(H,16,18)
InChIKeyLWTATCKOBUPMQP-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.26
Rot. Bonds10

About 3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate

3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate (PubChem CID 139977048) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate
PubChem CID139977048
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN(CCCCNC(C)=O)C(C)=O
InChIInChI=1S/C15H26N2O4/c1-12(2)15(20)21-11-7-10-17(14(4)19)9-6-5-8-16-13(3)18/h1,5-11H2,2-4H3,(H,16,18)
InChIKeyLWTATCKOBUPMQP-UHFFFAOYSA-N
XLogP1.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-acetamidopropyl 2-methylprop-2-enoate
CID 15055173
[4-[bis[3-(2-methylprop-2-enoyloxy)propyl]amino]-4-oxobutyl] 2-methylprop-2-enoate
CID 87748178
3-(dimethoxyamino)propyl 2-methylprop-2-enoate
CID 163889892
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate
CID 169159810
azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride
CID 174828907
3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
CID 20603675
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate
CID 154988870
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
methyl N-[3-[3-acetamidopropyl(acetyl)amino]propyl]carbamate;molecular hydrogen;propane
CID 143730822

Frequently Asked Questions

What is the IUPAC name of 3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate (CID 139977048) is 3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCN(CCCCNC(C)=O)C(C)=O.
What is the InChIKey of 3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate?
The InChIKey is LWTATCKOBUPMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-12(2)15(20)21-11-7-10-17(14(4)19)9-6-5-8-16-13(3)18/h1,5-11H2,2-4H3,(H,16,18).
What are the key properties of 3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate?
3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate has a molecular weight of 298.38 g/mol, XLogP of 1.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 139977048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).