N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide

C24H37N5O5 — CID 16620491

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN(CC)Cc2ccc(OCC)c(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C24H37N5O5/c1-6-10-13-29-22(25)21(23(31)26-24(29)32)28(8-3)20(30)16-27(7-2)15-17-11-12-18(34-9-4)19(14-17)33-5/h11-12,14H,6-10,13,15-16,25H2,1-5H3,(H,26,31,32)
InChIKeySMZBVAHMHINLQR-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.20
Rot. Bonds13

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide (PubChem CID 16620491) has the molecular formula C24H37N5O5 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide
PubChem CID16620491
Molecular FormulaC24H37N5O5
Molecular Weight475.59 g/mol
Exact Mass475.28
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN(CC)Cc2ccc(OCC)c(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C24H37N5O5/c1-6-10-13-29-22(25)21(23(31)26-24(29)32)28(8-3)20(30)16-27(7-2)15-17-11-12-18(34-9-4)19(14-17)33-5/h11-12,14H,6-10,13,15-16,25H2,1-5H3,(H,26,31,32)
InChIKeySMZBVAHMHINLQR-UHFFFAOYSA-N
XLogP2.20
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide
CID 18077269
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 32620486
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-ethoxy-3-methoxy-N-(2-methoxyethyl)benzamide
CID 55344791
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-fluoro-N-methylanilino)acetamide
CID 55839982
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide
CID 55412918
6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16620465
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenyl)-N-propylacetamide
CID 8839015
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide
CID 27930614
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 18077285
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-phenoxypropanamide
CID 29310095
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(3-methylphenyl)methylsulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide (CID 16620491) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide is CCCCn1c(N)c(N(CC)C(=O)CN(CC)Cc2ccc(OCC)c(OC)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide?
The InChIKey is SMZBVAHMHINLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O5/c1-6-10-13-29-22(25)21(23(31)26-24(29)32)28(8-3)20(30)16-27(7-2)15-17-11-12-18(34-9-4)19(14-17)33-5/h11-12,14H,6-10,13,15-16,25H2,1-5H3,(H,26,31,32).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide has a molecular weight of 475.59 g/mol, XLogP of 2.20, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 16620491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).