N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide

C16H26N6O3 — CID 119659215

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C16H26N6O3/c1-9(2)10(17)7-8-21(3)12(23)6-5-11-18-13-14(19-11)22(4)16(25)20-15(13)24/h9-10H,5-8,17H2,1-4H3,(H,18,19)(H,20,24,25)
InChIKeyANXBFCOBQQRRDV-UHFFFAOYSA-N
MW350.42 g/mol
LogP-0.29
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide

N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide (PubChem CID 119659215) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide
PubChem CID119659215
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C16H26N6O3/c1-9(2)10(17)7-8-21(3)12(23)6-5-11-18-13-14(19-11)22(4)16(25)20-15(13)24/h9-10H,5-8,17H2,1-4H3,(H,18,19)(H,20,24,25)
InChIKeyANXBFCOBQQRRDV-UHFFFAOYSA-N
XLogP-0.29
TPSA129.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide (CID 119659215) is N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide is CC(C)C(N)CCN(C)C(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide?
The InChIKey is ANXBFCOBQQRRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-9(2)10(17)7-8-21(3)12(23)6-5-11-18-13-14(19-11)22(4)16(25)20-15(13)24/h9-10H,5-8,17H2,1-4H3,(H,18,19)(H,20,24,25).
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide?
N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of -0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanamide is sourced from PubChem (CID 119659215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).