N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide

C14H21N3O3 — CID 57050525

IUPACN-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCN(CC)C(=O)C=CN(CC)C(=O)C=C
InChIInChI=1S/C14H21N3O3/c1-5-12(18)15-11-17(8-4)14(20)9-10-16(7-3)13(19)6-2/h5-6,9-10H,1-2,7-8,11H2,3-4H3,(H,15,18)
InChIKeyMFPZUJZNKCTRBH-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.64
Rot. Bonds8

About N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide

N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide (PubChem CID 57050525) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide
PubChem CID57050525
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCN(CC)C(=O)C=CN(CC)C(=O)C=C
InChIInChI=1S/C14H21N3O3/c1-5-12(18)15-11-17(8-4)14(20)9-10-16(7-3)13(19)6-2/h5-6,9-10H,1-2,7-8,11H2,3-4H3,(H,15,18)
InChIKeyMFPZUJZNKCTRBH-UHFFFAOYSA-N
XLogP0.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Uracil
CID 1174
3-Methyluracil
CID 79066
1-Methyluracil
CID 12009
1-Ethyluracil
CID 4183135
1,3-Dimethyl-6-(propylamino)pyrimidine-2,4-dione
CID 2262138
N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 10198639
N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654967
6-Ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione
CID 652709
N-heptyl-2,4-dioxopyrimidine-1-carboxamide
CID 71655116
1H-Pyrimidine-2,4-dione, 1-allyl-3-methyl-6-methylamino-
CID 752094
1-ethyl-3-methyl-6-(methylamino)-2,4(1H,3H)-pyrimidinedione
CID 822144
3-Butyluracil
CID 73265

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide?
The IUPAC name of N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide (CID 57050525) is N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide?
The canonical SMILES for N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide is C=CC(=O)NCN(CC)C(=O)C=CN(CC)C(=O)C=C.
What is the InChIKey of N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide?
The InChIKey is MFPZUJZNKCTRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-12(18)15-11-17(8-4)14(20)9-10-16(7-3)13(19)6-2/h5-6,9-10H,1-2,7-8,11H2,3-4H3,(H,15,18).
What are the key properties of N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide?
N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide has a molecular weight of 279.34 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide is sourced from PubChem (CID 57050525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).