2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide

C20H23N5O4 — CID 167805801

IUPAC2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NC2CC(NC(=O)c3ccc(NC(N)=O)cc3)C2)c1
InChIInChI=1S/C20H23N5O4/c1-29-15-6-7-17(21)16(10-15)19(27)24-14-8-13(9-14)23-18(26)11-2-4-12(5-3-11)25-20(22)28/h2-7,10,13-14H,8-9,21H2,1H3,(H,23,26)(H,24,27)(H3,22,25,28)
InChIKeyNUVGPOOAGFDPQB-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.46
Rot. Bonds6

About 2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide

2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide (PubChem CID 167805801) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide
PubChem CID167805801
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NC2CC(NC(=O)c3ccc(NC(N)=O)cc3)C2)c1
InChIInChI=1S/C20H23N5O4/c1-29-15-6-7-17(21)16(10-15)19(27)24-14-8-13(9-14)23-18(26)11-2-4-12(5-3-11)25-20(22)28/h2-7,10,13-14H,8-9,21H2,1H3,(H,23,26)(H,24,27)(H3,22,25,28)
InChIKeyNUVGPOOAGFDPQB-UHFFFAOYSA-N
XLogP1.46
TPSA148.57 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106179800
2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide
CID 64749007
2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide
CID 115413365
4-(carbamoylamino)-N-(3,5-dimethoxyphenyl)benzamide
CID 4786525
2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115413375
2-amino-N-(3-hydroxy-4-methoxyphenyl)-5-methoxybenzamide
CID 115412684
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
CID 54959759
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide
CID 107679870
2-amino-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 115413371

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide?
The IUPAC name of 2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide (CID 167805801) is 2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide is COc1ccc(N)c(C(=O)NC2CC(NC(=O)c3ccc(NC(N)=O)cc3)C2)c1.
What is the InChIKey of 2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide?
The InChIKey is NUVGPOOAGFDPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-29-15-6-7-17(21)16(10-15)19(27)24-14-8-13(9-14)23-18(26)11-2-4-12(5-3-11)25-20(22)28/h2-7,10,13-14H,8-9,21H2,1H3,(H,23,26)(H,24,27)(H3,22,25,28).
What are the key properties of 2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide?
2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide has a molecular weight of 397.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[[4-(carbamoylamino)benzoyl]amino]cyclobutyl]-5-methoxybenzamide is sourced from PubChem (CID 167805801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).