4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide

C20H23N3O2 — CID 95320971

IUPAC4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)N[C@@H]2CCCCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c21-20(25)22-13-14-9-11-16(12-10-14)19(24)23-18-8-4-2-6-15-5-1-3-7-17(15)18/h1,3,5,7,9-12,18H,2,4,6,8,13H2,(H,23,24)(H3,21,22,25)/t18-/m1/s1
InChIKeyMGGHVZLXXUKEDD-GOSISDBHSA-N
MW337.42 g/mol
LogP3.05
Rot. Bonds4

About 4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide

4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide (PubChem CID 95320971) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
PubChem CID95320971
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)N[C@@H]2CCCCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c21-20(25)22-13-14-9-11-16(12-10-14)19(24)23-18-8-4-2-6-15-5-1-3-7-17(15)18/h1,3,5,7,9-12,18H,2,4,6,8,13H2,(H,23,24)(H3,21,22,25)/t18-/m1/s1
InChIKeyMGGHVZLXXUKEDD-GOSISDBHSA-N
XLogP3.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide with MolForge

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Related Compounds

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N-methyl-4-[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]benzamide
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CID 4681400
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
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4-acetamido-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide (CID 95320971) is 4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide is NC(=O)NCc1ccc(C(=O)N[C@@H]2CCCCc3ccccc32)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide?
The InChIKey is MGGHVZLXXUKEDD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-20(25)22-13-14-9-11-16(12-10-14)19(24)23-18-8-4-2-6-15-5-1-3-7-17(15)18/h1,3,5,7,9-12,18H,2,4,6,8,13H2,(H,23,24)(H3,21,22,25)/t18-/m1/s1.
What are the key properties of 4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide?
4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide is sourced from PubChem (CID 95320971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).