N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide

C25H29N5O4 — CID 55893350

IUPACN-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)c1
InChIInChI=1S/C25H29N5O4/c1-4-21(32)28-18-12-11-16(3)19(13-18)27-14-20(31)22-23(26)30(15-17-9-7-6-8-10-17)25(34)29(5-2)24(22)33/h6-13,27H,4-5,14-15,26H2,1-3H3,(H,28,32)
InChIKeyFBGJJHYMGPGGPG-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.61
Rot. Bonds9

About N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide

N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide (PubChem CID 55893350) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide
PubChem CID55893350
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC NameN-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)c1
InChIInChI=1S/C25H29N5O4/c1-4-21(32)28-18-12-11-16(3)19(13-18)27-14-20(31)22-23(26)30(15-17-9-7-6-8-10-17)25(34)29(5-2)24(22)33/h6-13,27H,4-5,14-15,26H2,1-3H3,(H,28,32)
InChIKeyFBGJJHYMGPGGPG-UHFFFAOYSA-N
XLogP2.61
TPSA128.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide with MolForge

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Related Compounds

6-amino-1-benzyl-5-[2-(5-chloro-2-fluoroanilino)acetyl]-3-ethylpyrimidine-2,4-dione
CID 24583415
4-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 55545158
6-amino-1-benzyl-3-ethyl-5-[2-[2-(trifluoromethoxy)anilino]acetyl]pyrimidine-2,4-dione
CID 24615094
6-amino-1-benzyl-5-[2-(benzylamino)acetyl]-3-ethylpyrimidine-2,4-dione
CID 169167925
N-[4-[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 27196351
6-amino-1-benzyl-3-ethyl-5-[2-[1-(2-fluorophenyl)ethylamino]acetyl]pyrimidine-2,4-dione
CID 18086102
6-amino-1-benzyl-5-[2-(4-benzylpiperazin-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione
CID 2091532
[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2457404
(2S)-2-[[2-[4-amino-1-ethyl-3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]amino]-3-phenylpropanamide
CID 169167916
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 2684384
6-amino-1-benzyl-5-[2-[(4-tert-butylphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione
CID 2115380

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide (CID 55893350) is N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)c1.
What is the InChIKey of N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide?
The InChIKey is FBGJJHYMGPGGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-4-21(32)28-18-12-11-16(3)19(13-18)27-14-20(31)22-23(26)30(15-17-9-7-6-8-10-17)25(34)29(5-2)24(22)33/h6-13,27H,4-5,14-15,26H2,1-3H3,(H,28,32).
What are the key properties of N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide?
N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide has a molecular weight of 463.54 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-4-methylphenyl]propanamide is sourced from PubChem (CID 55893350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).