2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide

C22H26N4O3 — CID 18759802

IUPAC2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide
SMILESCc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(N)=O
InChIInChI=1S/C22H26N4O3/c1-15-12-17(9-10-18(15)13-24-22(29)25-14-20(23)27)21(28)26-11-5-4-7-16-6-2-3-8-19(16)26/h2-3,6,8-10,12H,4-5,7,11,13-14H2,1H3,(H2,23,27)(H2,24,25,29)
InChIKeyPADZCOVJJWXXCN-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.26
Rot. Bonds5

About 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide

2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide (PubChem CID 18759802) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide.

Molecular Properties

Compound Name2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide
PubChem CID18759802
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide
SMILESCc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(N)=O
InChIInChI=1S/C22H26N4O3/c1-15-12-17(9-10-18(15)13-24-22(29)25-14-20(23)27)21(28)26-11-5-4-7-16-6-2-3-8-19(16)26/h2-3,6,8-10,12H,4-5,7,11,13-14H2,1H3,(H2,23,27)(H2,24,25,29)
InChIKeyPADZCOVJJWXXCN-UHFFFAOYSA-N
XLogP2.26
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide?
The IUPAC name of 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide (CID 18759802) is 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide.
What is the SMILES notation for 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide?
The canonical SMILES for 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide is Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(N)=O.
What is the InChIKey of 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide?
The InChIKey is PADZCOVJJWXXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-12-17(9-10-18(15)13-24-22(29)25-14-20(23)27)21(28)26-11-5-4-7-16-6-2-3-8-19(16)26/h2-3,6,8-10,12H,4-5,7,11,13-14H2,1H3,(H2,23,27)(H2,24,25,29).
What are the key properties of 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide?
2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide has a molecular weight of 394.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetamide is sourced from PubChem (CID 18759802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).