N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide

C22H30ClN5O4 — CID 24687547

IUPACN-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)CCNC(=O)c2ccccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C22H30ClN5O4/c1-4-5-12-27-19(24)18(21(31)26-22(27)32)28(13-14(2)3)17(29)10-11-25-20(30)15-8-6-7-9-16(15)23/h6-9,14H,4-5,10-13,24H2,1-3H3,(H,25,30)(H,26,31,32)
InChIKeyMFWCWOLHUWKVTH-UHFFFAOYSA-N
MW463.97 g/mol
LogP2.38
Rot. Bonds10

About N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide

N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide (PubChem CID 24687547) has the molecular formula C22H30ClN5O4 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide
PubChem CID24687547
Molecular FormulaC22H30ClN5O4
Molecular Weight463.97 g/mol
Exact Mass463.20
IUPAC NameN-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)CCNC(=O)c2ccccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C22H30ClN5O4/c1-4-5-12-27-19(24)18(21(31)26-22(27)32)28(13-14(2)3)17(29)10-11-25-20(30)15-8-6-7-9-16(15)23/h6-9,14H,4-5,10-13,24H2,1-3H3,(H,25,30)(H,26,31,32)
InChIKeyMFWCWOLHUWKVTH-UHFFFAOYSA-N
XLogP2.38
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide?
The IUPAC name of N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide (CID 24687547) is N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide.
What is the SMILES notation for N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide?
The canonical SMILES for N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide is CCCCn1c(N)c(N(CC(C)C)C(=O)CCNC(=O)c2ccccc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide?
The InChIKey is MFWCWOLHUWKVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN5O4/c1-4-5-12-27-19(24)18(21(31)26-22(27)32)28(13-14(2)3)17(29)10-11-25-20(30)15-8-6-7-9-16(15)23/h6-9,14H,4-5,10-13,24H2,1-3H3,(H,25,30)(H,26,31,32).
What are the key properties of N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide?
N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide has a molecular weight of 463.97 g/mol, XLogP of 2.38, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide is sourced from PubChem (CID 24687547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).