N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide

C21H29N5O5 — CID 55623438

IUPACN-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide
SMILESCCCCn1c(N)c(N(C)C(=O)CCCNC(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H29N5O5/c1-4-5-13-26-18(22)17(20(29)24-21(26)30)25(2)16(27)7-6-12-23-19(28)14-8-10-15(31-3)11-9-14/h8-11H,4-7,12-13,22H2,1-3H3,(H,23,28)(H,24,29,30)
InChIKeyOWKQACDKVXDTOT-UHFFFAOYSA-N
MW431.49 g/mol
LogP1.10
Rot. Bonds10

About N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide

N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide (PubChem CID 55623438) has the molecular formula C21H29N5O5 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide
PubChem CID55623438
Molecular FormulaC21H29N5O5
Molecular Weight431.49 g/mol
Exact Mass431.22
IUPAC NameN-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide
SMILESCCCCn1c(N)c(N(C)C(=O)CCCNC(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H29N5O5/c1-4-5-13-26-18(22)17(20(29)24-21(26)30)25(2)16(27)7-6-12-23-19(28)14-8-10-15(31-3)11-9-14/h8-11H,4-7,12-13,22H2,1-3H3,(H,23,28)(H,24,29,30)
InChIKeyOWKQACDKVXDTOT-UHFFFAOYSA-N
XLogP1.10
TPSA139.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide with MolForge

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-propoxybenzamide
CID 26196356
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 8918135
N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide
CID 39768831
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide
CID 55339130
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide
CID 8917987
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 8917753
N-[4-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-2-ethoxybenzamide
CID 55427218
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 17411815
4-methoxy-N-pentylbenzamide
CID 3113360
N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55582201
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
CID 86977286
4-methoxy-N-nonylbenzamide
CID 3557385

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide (CID 55623438) is N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide is CCCCn1c(N)c(N(C)C(=O)CCCNC(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide?
The InChIKey is OWKQACDKVXDTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O5/c1-4-5-13-26-18(22)17(20(29)24-21(26)30)25(2)16(27)7-6-12-23-19(28)14-8-10-15(31-3)11-9-14/h8-11H,4-7,12-13,22H2,1-3H3,(H,23,28)(H,24,29,30).
What are the key properties of N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide?
N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide has a molecular weight of 431.49 g/mol, XLogP of 1.10, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide is sourced from PubChem (CID 55623438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).