2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide

C19H28N4O3 — CID 167769496

IUPAC2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide
SMILESCNC(=O)NCC1CN(C(=O)NC2CCCc3ccccc3C2)CCO1
InChIInChI=1S/C19H28N4O3/c1-20-18(24)21-12-17-13-23(9-10-26-17)19(25)22-16-8-4-7-14-5-2-3-6-15(14)11-16/h2-3,5-6,16-17H,4,7-13H2,1H3,(H,22,25)(H2,20,21,24)
InChIKeyDJPFCTQTUZDWHR-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.27
Rot. Bonds3

About 2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide

2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide (PubChem CID 167769496) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide
PubChem CID167769496
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide
SMILESCNC(=O)NCC1CN(C(=O)NC2CCCc3ccccc3C2)CCO1
InChIInChI=1S/C19H28N4O3/c1-20-18(24)21-12-17-13-23(9-10-26-17)19(25)22-16-8-4-7-14-5-2-3-6-15(14)11-16/h2-3,5-6,16-17H,4,7-13H2,1H3,(H,22,25)(H2,20,21,24)
InChIKeyDJPFCTQTUZDWHR-UHFFFAOYSA-N
XLogP1.27
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-2-yl)morpholine-4-carboxamide
CID 115599477
1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea
CID 139015420
N-cyclopentyl-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79832616
2-[methyl-[[4-[(3-methyl-3-phenylcyclobutyl)carbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122013142
1-methyl-3-[[4-[2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]morpholin-2-yl]methyl]urea
CID 167812139
methyl 4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]-1,4-diazepane-1-carboxylate
CID 95299227
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(methylcarbamoylamino)acetamide
CID 124623954
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-1-carboxamide
CID 154780747
N-cyclohexyl-2-(pyrimidin-2-yloxymethyl)morpholine-4-carboxamide
CID 3838021
1-[(3-methyl-2-pyridinyl)methyl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)urea
CID 146140314
2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide
CID 84596388
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750

Frequently Asked Questions

What is the IUPAC name of 2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide?
The IUPAC name of 2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide (CID 167769496) is 2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide?
The canonical SMILES for 2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide is CNC(=O)NCC1CN(C(=O)NC2CCCc3ccccc3C2)CCO1.
What is the InChIKey of 2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide?
The InChIKey is DJPFCTQTUZDWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-20-18(24)21-12-17-13-23(9-10-26-17)19(25)22-16-8-4-7-14-5-2-3-6-15(14)11-16/h2-3,5-6,16-17H,4,7-13H2,1H3,(H,22,25)(H2,20,21,24).
What are the key properties of 2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide?
2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide is sourced from PubChem (CID 167769496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).