N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide

C26H32N4O4 — CID 24687013

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O
InChIInChI=1S/C26H32N4O4/c1-4-5-14-29-23(27)22(24(31)28-26(29)33)30(16-18(2)3)25(32)20-12-9-13-21(15-20)34-17-19-10-7-6-8-11-19/h6-13,15,18H,4-5,14,16-17,27H2,1-3H3,(H,28,31,33)
InChIKeyNKPLYFQPKJWJBY-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.80
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide (PubChem CID 24687013) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide
PubChem CID24687013
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O
InChIInChI=1S/C26H32N4O4/c1-4-5-14-29-23(27)22(24(31)28-26(29)33)30(16-18(2)3)25(32)20-12-9-13-21(15-20)34-17-19-10-7-6-8-11-19/h6-13,15,18H,4-5,14,16-17,27H2,1-3H3,(H,28,31,33)
InChIKeyNKPLYFQPKJWJBY-UHFFFAOYSA-N
XLogP3.80
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione
CID 71462630
[4-[3-[(6-Amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylcarbamoyl]phenyl]phenyl] acetate
CID 2551566
N-(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-2-ethoxy-benzamide
CID 3161227
N-[1-Methylcarbamoyl-2-(3-phenoxy-phenyl)-vinyl]-benzamide
CID 5440493
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 118246707
N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-methoxybenzamide
CID 808737
N-[2-(2-ethoxyphenyl)-1-(1-piperidinylcarbonyl)vinyl]benzamide
CID 1376033
N-[1-Allylcarbamoyl-2-(2-ethoxy-phenyl)-vinyl]-benzamide
CID 1731344
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 2115877
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide
CID 2467582
N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 2528636
3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2930666

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide (CID 24687013) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide is CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide?
The InChIKey is NKPLYFQPKJWJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-4-5-14-29-23(27)22(24(31)28-26(29)33)30(16-18(2)3)25(32)20-12-9-13-21(15-20)34-17-19-10-7-6-8-11-19/h6-13,15,18H,4-5,14,16-17,27H2,1-3H3,(H,28,31,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide has a molecular weight of 464.57 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide is sourced from PubChem (CID 24687013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).