3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide

C22H31N3O3 — CID 55780167

IUPAC3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide
SMILESCOCc1ccccc1NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31N3O3/c1-28-14-18-4-2-3-5-19(18)24-20(26)6-7-23-21(27)25-22-11-15-8-16(12-22)10-17(9-15)13-22/h2-5,15-17H,6-14H2,1H3,(H,24,26)(H2,23,25,27)
InChIKeyBVGDTPLIPIQGQU-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.43
Rot. Bonds7

About 3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide

3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide (PubChem CID 55780167) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide
PubChem CID55780167
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide
SMILESCOCc1ccccc1NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31N3O3/c1-28-14-18-4-2-3-5-19(18)24-20(26)6-7-23-21(27)25-22-11-15-8-16(12-22)10-17(9-15)13-22/h2-5,15-17H,6-14H2,1H3,(H,24,26)(H2,23,25,27)
InChIKeyBVGDTPLIPIQGQU-UHFFFAOYSA-N
XLogP3.43
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 26584433
N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 8570754
3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide
CID 26915513
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
1-(1-adamantyl)-3-[3-[2-(2-chlorobenzoyl)hydrazinyl]-3-oxopropyl]urea
CID 35930615
3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009311
2-[3-(1-adamantylcarbamoylamino)propanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55807245
ethyl 2-(1-adamantylcarbamoylamino)benzoate
CID 108895961
4-amino-N-[2-(methoxymethyl)phenyl]butanamide
CID 43701002
1-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887719
N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 54927933
N-(1-adamantyl)-3-(2-methylanilino)propanamide
CID 37248010

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide (CID 55780167) is 3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide is COCc1ccccc1NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide?
The InChIKey is BVGDTPLIPIQGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-28-14-18-4-2-3-5-19(18)24-20(26)6-7-23-21(27)25-22-11-15-8-16(12-22)10-17(9-15)13-22/h2-5,15-17H,6-14H2,1H3,(H,24,26)(H2,23,25,27).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide?
3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide has a molecular weight of 385.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide is sourced from PubChem (CID 55780167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).