N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

C22H26N4O3 — CID 60590759

IUPACN-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26N4O3/c27-19-5-6-26(21(29)24-19)13-20(28)23-17-3-1-2-4-18(17)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-6,14-16,25H,7-13H2,(H,23,28)(H,24,27,29)
InChIKeyBKIAAEYTCOXZDY-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.56
Rot. Bonds5

About N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 60590759) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID60590759
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26N4O3/c27-19-5-6-26(21(29)24-19)13-20(28)23-17-3-1-2-4-18(17)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-6,14-16,25H,7-13H2,(H,23,28)(H,24,27,29)
InChIKeyBKIAAEYTCOXZDY-UHFFFAOYSA-N
XLogP2.56
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]carbamate
CID 60609789
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide
CID 52819195
N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 51129921
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 51642054
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063517
2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39953760
2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide
CID 60613258
N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide
CID 119865706
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633214

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 60590759) is N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is BKIAAEYTCOXZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-19-5-6-26(21(29)24-19)13-20(28)23-17-3-1-2-4-18(17)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-6,14-16,25H,7-13H2,(H,23,28)(H,24,27,29).
What are the key properties of N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 60590759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).