3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide

C20H29N3O2 — CID 42916747

IUPAC3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)C(=O)NC(C)C2CC3CCC2C3)c1
InChIInChI=1S/C20H29N3O2/c1-12(18-10-14-7-8-15(18)9-14)23-19(24)13(2)22-17-6-4-5-16(11-17)20(25)21-3/h4-6,11-15,18,22H,7-10H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyXLYWZZQNZUJVNH-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.79
Rot. Bonds6

About 3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide

3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide (PubChem CID 42916747) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide
PubChem CID42916747
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)C(=O)NC(C)C2CC3CCC2C3)c1
InChIInChI=1S/C20H29N3O2/c1-12(18-10-14-7-8-15(18)9-14)23-19(24)13(2)22-17-6-4-5-16(11-17)20(25)21-3/h4-6,11-15,18,22H,7-10H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyXLYWZZQNZUJVNH-UHFFFAOYSA-N
XLogP2.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide with MolForge

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Related Compounds

(2R)-2-(4-acetamidoanilino)-N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]propanamide
CID 98613619
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbenzamide
CID 98205461
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide
CID 4966114
4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide
CID 63356476
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide
CID 98785559
1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3-methylphenyl)urea
CID 98329753
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 51163154
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 43517740
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea
CID 3091316
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylsulfinylmethyl)benzamide
CID 46559723
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 18271808

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide (CID 42916747) is 3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(C)C(=O)NC(C)C2CC3CCC2C3)c1.
What is the InChIKey of 3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide?
The InChIKey is XLYWZZQNZUJVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-12(18-10-14-7-8-15(18)9-14)23-19(24)13(2)22-17-6-4-5-16(11-17)20(25)21-3/h4-6,11-15,18,22H,7-10H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide?
3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide has a molecular weight of 343.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 42916747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).