N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide

C19H24N6O3 — CID 120885616

IUPACN-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)N(CCN)CCc3ccccc3)nc21
InChIInChI=1S/C19H24N6O3/c1-24-17-16(18(27)23-19(24)28)21-14(22-17)7-8-15(26)25(12-10-20)11-9-13-5-3-2-4-6-13/h2-6H,7-12,20H2,1H3,(H,21,22)(H,23,27,28)
InChIKeyQNEUINBFGPTVJC-UHFFFAOYSA-N
MW384.44 g/mol
LogP-0.09
Rot. Bonds8

About N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide

N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide (PubChem CID 120885616) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide
PubChem CID120885616
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)N(CCN)CCc3ccccc3)nc21
InChIInChI=1S/C19H24N6O3/c1-24-17-16(18(27)23-19(24)28)21-14(22-17)7-8-15(26)25(12-10-20)11-9-13-5-3-2-4-6-13/h2-6H,7-12,20H2,1H3,(H,21,22)(H,23,27,28)
InChIKeyQNEUINBFGPTVJC-UHFFFAOYSA-N
XLogP-0.09
TPSA129.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-8-(2-phenylethyl)-7H-purine-2,6-dione
CID 115925676
N-(2-aminoethyl)-3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886753
N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886485
N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide
CID 119659215
N-(1,1-diphenylethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide
CID 56523672
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
8-[3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-oxopropyl]-3-methyl-7H-purine-2,6-dione
CID 120749538
8-[3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-oxopropyl]-3-methyl-7H-purine-2,6-dione;hydrochloride
CID 120749537
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120884813

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide (CID 120885616) is N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide is Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)N(CCN)CCc3ccccc3)nc21.
What is the InChIKey of N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is QNEUINBFGPTVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-24-17-16(18(27)23-19(24)28)21-14(22-17)7-8-15(26)25(12-10-20)11-9-13-5-3-2-4-6-13/h2-6H,7-12,20H2,1H3,(H,21,22)(H,23,27,28).
What are the key properties of N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide?
N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 384.44 g/mol, XLogP of -0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 120885616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).